Program PWSCF v.5.1.1 starts on 31Oct2015 at 18:37: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaCu3Se4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 35 10 1852 1065 168 Max 51 36 11 1855 1084 173 Sum 2409 1685 489 88959 51627 8121 bravais-lattice index = 14 lattice parameter (alat) = 10.6983 a.u. unit-cell volume = 1224.4612 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.698306 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 Dense grid: 88959 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 51627 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 286, 84) NL pseudopotentials 0.36 Mb ( 143, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1854) G-vector shells 0.00 Mb ( 471) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 286, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.42 Mb ( 164, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./TaCu3Se4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.9 secs Computing kpt #: 2 total cpu time spent up to now is 60.7 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.1 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.0 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.6 secs Computing kpt #: 8 total cpu time spent up to now is 118.2 secs Computing kpt #: 9 total cpu time spent up to now is 125.1 secs Computing kpt #: 10 total cpu time spent up to now is 131.5 secs Computing kpt #: 11 total cpu time spent up to now is 137.8 secs Computing kpt #: 12 total cpu time spent up to now is 143.7 secs Computing kpt #: 13 total cpu time spent up to now is 151.6 secs Computing kpt #: 14 total cpu time spent up to now is 157.3 secs Computing kpt #: 15 total cpu time spent up to now is 162.6 secs Computing kpt #: 16 total cpu time spent up to now is 167.7 secs Computing kpt #: 17 total cpu time spent up to now is 172.0 secs Computing kpt #: 18 total cpu time spent up to now is 176.3 secs Computing kpt #: 19 total cpu time spent up to now is 180.8 secs Computing kpt #: 20 total cpu time spent up to now is 185.2 secs Computing kpt #: 21 total cpu time spent up to now is 189.9 secs Computing kpt #: 22 total cpu time spent up to now is 194.6 secs Computing kpt #: 23 total cpu time spent up to now is 199.4 secs Computing kpt #: 24 total cpu time spent up to now is 204.1 secs Computing kpt #: 25 total cpu time spent up to now is 208.8 secs Computing kpt #: 26 total cpu time spent up to now is 213.9 secs Computing kpt #: 27 total cpu time spent up to now is 218.4 secs Computing kpt #: 28 total cpu time spent up to now is 223.1 secs Computing kpt #: 29 total cpu time spent up to now is 227.7 secs Computing kpt #: 30 total cpu time spent up to now is 232.2 secs Computing kpt #: 31 total cpu time spent up to now is 236.9 secs Computing kpt #: 32 total cpu time spent up to now is 241.5 secs Computing kpt #: 33 total cpu time spent up to now is 246.3 secs Computing kpt #: 34 total cpu time spent up to now is 253.3 secs Computing kpt #: 35 total cpu time spent up to now is 258.1 secs Computing kpt #: 36 total cpu time spent up to now is 265.3 secs Computing kpt #: 37 total cpu time spent up to now is 270.3 secs Computing kpt #: 38 total cpu time spent up to now is 275.1 secs Computing kpt #: 39 total cpu time spent up to now is 279.9 secs Computing kpt #: 40 total cpu time spent up to now is 284.7 secs Computing kpt #: 41 total cpu time spent up to now is 289.5 secs Computing kpt #: 42 total cpu time spent up to now is 294.4 secs Computing kpt #: 43 total cpu time spent up to now is 299.1 secs Computing kpt #: 44 total cpu time spent up to now is 303.7 secs Computing kpt #: 45 total cpu time spent up to now is 308.3 secs Computing kpt #: 46 total cpu time spent up to now is 312.8 secs Computing kpt #: 47 total cpu time spent up to now is 317.0 secs Computing kpt #: 48 total cpu time spent up to now is 321.3 secs Computing kpt #: 49 total cpu time spent up to now is 326.0 secs Computing kpt #: 50 total cpu time spent up to now is 330.1 secs Computing kpt #: 51 total cpu time spent up to now is 334.1 secs Computing kpt #: 52 total cpu time spent up to now is 338.2 secs Computing kpt #: 53 total cpu time spent up to now is 342.2 secs Computing kpt #: 54 total cpu time spent up to now is 346.3 secs Computing kpt #: 55 total cpu time spent up to now is 350.5 secs Computing kpt #: 56 total cpu time spent up to now is 354.6 secs Computing kpt #: 57 total cpu time spent up to now is 358.8 secs Computing kpt #: 58 total cpu time spent up to now is 362.7 secs Computing kpt #: 59 total cpu time spent up to now is 366.6 secs Computing kpt #: 60 total cpu time spent up to now is 370.8 secs Computing kpt #: 61 total cpu time spent up to now is 374.9 secs Computing kpt #: 62 total cpu time spent up to now is 379.0 secs Computing kpt #: 63 total cpu time spent up to now is 383.0 secs Computing kpt #: 64 total cpu time spent up to now is 387.0 secs Computing kpt #: 65 total cpu time spent up to now is 391.0 secs Computing kpt #: 66 total cpu time spent up to now is 395.1 secs Computing kpt #: 67 total cpu time spent up to now is 399.1 secs Computing kpt #: 68 total cpu time spent up to now is 403.3 secs Computing kpt #: 69 total cpu time spent up to now is 407.6 secs Computing kpt #: 70 total cpu time spent up to now is 412.2 secs Computing kpt #: 71 total cpu time spent up to now is 418.4 secs Computing kpt #: 72 total cpu time spent up to now is 423.6 secs Computing kpt #: 73 total cpu time spent up to now is 428.5 secs Computing kpt #: 74 total cpu time spent up to now is 433.3 secs Computing kpt #: 75 total cpu time spent up to now is 438.4 secs Computing kpt #: 76 total cpu time spent up to now is 443.5 secs Computing kpt #: 77 total cpu time spent up to now is 448.5 secs Computing kpt #: 78 total cpu time spent up to now is 453.4 secs Computing kpt #: 79 total cpu time spent up to now is 458.2 secs Computing kpt #: 80 total cpu time spent up to now is 463.3 secs Computing kpt #: 81 total cpu time spent up to now is 468.2 secs Computing kpt #: 82 total cpu time spent up to now is 475.4 secs Computing kpt #: 83 total cpu time spent up to now is 485.0 secs Computing kpt #: 84 total cpu time spent up to now is 495.3 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.0 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 528.4 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.4 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 548.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.5 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.5 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.6 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.1 secs Computing kpt #: 95 total cpu time spent up to now is 610.5 secs Computing kpt #: 96 total cpu time spent up to now is 619.7 secs Computing kpt #: 97 total cpu time spent up to now is 628.8 secs Computing kpt #: 98 total cpu time spent up to now is 636.9 secs Computing kpt #: 99 total cpu time spent up to now is 644.9 secs Computing kpt #: 100 total cpu time spent up to now is 652.6 secs Computing kpt #: 101 total cpu time spent up to now is 660.5 secs Computing kpt #: 102 total cpu time spent up to now is 669.4 secs Computing kpt #: 103 total cpu time spent up to now is 677.2 secs Computing kpt #: 104 total cpu time spent up to now is 686.3 secs Computing kpt #: 105 total cpu time spent up to now is 697.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 707.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 718.2 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 748.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 758.1 secs Computing kpt #: 112 total cpu time spent up to now is 769.9 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 781.0 secs Computing kpt #: 114 total cpu time spent up to now is 789.1 secs Computing kpt #: 115 total cpu time spent up to now is 796.9 secs Computing kpt #: 116 total cpu time spent up to now is 804.9 secs Computing kpt #: 117 total cpu time spent up to now is 812.7 secs Computing kpt #: 118 total cpu time spent up to now is 819.4 secs Computing kpt #: 119 total cpu time spent up to now is 824.2 secs Computing kpt #: 120 total cpu time spent up to now is 830.2 secs Computing kpt #: 121 total cpu time spent up to now is 837.0 secs Computing kpt #: 122 total cpu time spent up to now is 841.8 secs Computing kpt #: 123 total cpu time spent up to now is 846.4 secs Computing kpt #: 124 total cpu time spent up to now is 851.0 secs Computing kpt #: 125 total cpu time spent up to now is 855.5 secs Computing kpt #: 126 total cpu time spent up to now is 860.1 secs Computing kpt #: 127 total cpu time spent up to now is 864.6 secs Computing kpt #: 128 total cpu time spent up to now is 869.2 secs Computing kpt #: 129 total cpu time spent up to now is 873.9 secs Computing kpt #: 130 total cpu time spent up to now is 878.3 secs Computing kpt #: 131 total cpu time spent up to now is 882.9 secs Computing kpt #: 132 total cpu time spent up to now is 887.5 secs Computing kpt #: 133 total cpu time spent up to now is 891.9 secs Computing kpt #: 134 total cpu time spent up to now is 896.3 secs Computing kpt #: 135 total cpu time spent up to now is 901.8 secs Computing kpt #: 136 total cpu time spent up to now is 908.3 secs Computing kpt #: 137 total cpu time spent up to now is 913.2 secs Computing kpt #: 138 total cpu time spent up to now is 924.6 secs Computing kpt #: 139 total cpu time spent up to now is 940.6 secs Computing kpt #: 140 total cpu time spent up to now is 944.9 secs Computing kpt #: 141 total cpu time spent up to now is 949.2 secs Computing kpt #: 142 total cpu time spent up to now is 953.6 secs Computing kpt #: 143 total cpu time spent up to now is 957.9 secs Computing kpt #: 144 total cpu time spent up to now is 962.2 secs Computing kpt #: 145 total cpu time spent up to now is 966.6 secs Computing kpt #: 146 total cpu time spent up to now is 971.0 secs Computing kpt #: 147 total cpu time spent up to now is 975.4 secs Computing kpt #: 148 total cpu time spent up to now is 979.7 secs Computing kpt #: 149 total cpu time spent up to now is 984.2 secs Computing kpt #: 150 total cpu time spent up to now is 988.5 secs Computing kpt #: 151 total cpu time spent up to now is 993.1 secs Computing kpt #: 152 total cpu time spent up to now is 998.0 secs Computing kpt #: 153 total cpu time spent up to now is 1002.7 secs Computing kpt #: 154 total cpu time spent up to now is 1007.2 secs Computing kpt #: 155 total cpu time spent up to now is 1011.6 secs Computing kpt #: 156 total cpu time spent up to now is 1016.9 secs Computing kpt #: 157 total cpu time spent up to now is 1024.4 secs Computing kpt #: 158 total cpu time spent up to now is 1028.7 secs Computing kpt #: 159 total cpu time spent up to now is 1033.0 secs Computing kpt #: 160 total cpu time spent up to now is 1037.3 secs Computing kpt #: 161 total cpu time spent up to now is 1041.5 secs Computing kpt #: 162 total cpu time spent up to now is 1045.7 secs Computing kpt #: 163 total cpu time spent up to now is 1049.8 secs Computing kpt #: 164 total cpu time spent up to now is 1053.9 secs Computing kpt #: 165 total cpu time spent up to now is 1058.0 secs Computing kpt #: 166 total cpu time spent up to now is 1062.1 secs Computing kpt #: 167 total cpu time spent up to now is 1066.2 secs Computing kpt #: 168 total cpu time spent up to now is 1070.2 secs Computing kpt #: 169 total cpu time spent up to now is 1074.3 secs Computing kpt #: 170 total cpu time spent up to now is 1078.4 secs Computing kpt #: 171 total cpu time spent up to now is 1082.9 secs Computing kpt #: 172 total cpu time spent up to now is 1089.7 secs Computing kpt #: 173 total cpu time spent up to now is 1093.8 secs Computing kpt #: 174 total cpu time spent up to now is 1098.0 secs Computing kpt #: 175 total cpu time spent up to now is 1102.3 secs Computing kpt #: 176 total cpu time spent up to now is 1106.8 secs Computing kpt #: 177 total cpu time spent up to now is 1111.2 secs Computing kpt #: 178 total cpu time spent up to now is 1115.9 secs Computing kpt #: 179 total cpu time spent up to now is 1120.7 secs Computing kpt #: 180 total cpu time spent up to now is 1125.7 secs Computing kpt #: 181 total cpu time spent up to now is 1130.6 secs Computing kpt #: 182 total cpu time spent up to now is 1135.5 secs Computing kpt #: 183 total cpu time spent up to now is 1140.3 secs Computing kpt #: 184 total cpu time spent up to now is 1145.1 secs Computing kpt #: 185 total cpu time spent up to now is 1150.3 secs Computing kpt #: 186 total cpu time spent up to now is 1155.4 secs Computing kpt #: 187 total cpu time spent up to now is 1160.1 secs Computing kpt #: 188 total cpu time spent up to now is 1164.8 secs Computing kpt #: 189 total cpu time spent up to now is 1172.0 secs Computing kpt #: 190 total cpu time spent up to now is 1176.7 secs Computing kpt #: 191 total cpu time spent up to now is 1180.5 secs Computing kpt #: 192 total cpu time spent up to now is 1184.4 secs Computing kpt #: 193 total cpu time spent up to now is 1188.4 secs Computing kpt #: 194 total cpu time spent up to now is 1192.3 secs Computing kpt #: 195 total cpu time spent up to now is 1196.2 secs Computing kpt #: 196 total cpu time spent up to now is 1200.1 secs Computing kpt #: 197 total cpu time spent up to now is 1204.1 secs Computing kpt #: 198 total cpu time spent up to now is 1208.1 secs Computing kpt #: 199 total cpu time spent up to now is 1212.1 secs Computing kpt #: 200 total cpu time spent up to now is 1216.2 secs Computing kpt #: 201 total cpu time spent up to now is 1220.3 secs Computing kpt #: 202 total cpu time spent up to now is 1224.6 secs Computing kpt #: 203 total cpu time spent up to now is 1230.3 secs Computing kpt #: 204 total cpu time spent up to now is 1235.6 secs Computing kpt #: 205 total cpu time spent up to now is 1240.0 secs Computing kpt #: 206 total cpu time spent up to now is 1244.4 secs Computing kpt #: 207 total cpu time spent up to now is 1248.9 secs Computing kpt #: 208 total cpu time spent up to now is 1253.2 secs Computing kpt #: 209 total cpu time spent up to now is 1257.6 secs Computing kpt #: 210 total cpu time spent up to now is 1262.0 secs Computing kpt #: 211 total cpu time spent up to now is 1266.4 secs Computing kpt #: 212 total cpu time spent up to now is 1270.7 secs Computing kpt #: 213 total cpu time spent up to now is 1275.0 secs Computing kpt #: 214 total cpu time spent up to now is 1279.4 secs Computing kpt #: 215 total cpu time spent up to now is 1283.7 secs Computing kpt #: 216 total cpu time spent up to now is 1288.0 secs Computing kpt #: 217 total cpu time spent up to now is 1292.4 secs Computing kpt #: 218 total cpu time spent up to now is 1297.3 secs Computing kpt #: 219 total cpu time spent up to now is 1301.6 secs ethr = 1.43E-11, avg # of iterations = 45.2 total cpu time spent up to now is 1301.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1583 -7.1583 -6.1369 -6.1369 -6.0441 -6.0441 -6.0441 -6.0441 0.9790 0.9790 0.9790 0.9790 1.4267 1.4267 2.6960 2.6960 2.7481 2.7481 2.7481 2.7481 3.2808 3.2808 3.3909 3.3909 3.3909 3.3909 3.7911 3.7911 3.8017 3.8017 3.8017 3.8017 3.8512 3.8512 3.8512 3.8512 4.4022 4.4022 4.5350 4.5350 4.5350 4.5350 4.6498 4.6498 4.6809 4.6809 4.6809 4.6809 4.9963 4.9963 5.1163 5.1163 5.1925 5.1925 5.1925 5.1925 6.2480 6.2480 6.2480 6.2480 6.2843 6.2843 8.4422 8.4422 8.5476 8.5476 8.5476 8.5476 8.5735 8.5735 8.7491 8.7491 8.7491 8.7491 11.9507 11.9507 k = 0.0000 0.0179-0.0000 ( 6451 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1577 -7.1577 -6.1371 -6.1371 -6.0447 -6.0447 -6.0441 -6.0441 0.9792 0.9792 0.9809 0.9809 1.4277 1.4277 2.6956 2.6956 2.7471 2.7471 2.7484 2.7484 3.2801 3.2801 3.3889 3.3889 3.3913 3.3913 3.7806 3.7806 3.7977 3.7977 3.8113 3.8113 3.8472 3.8472 3.8601 3.8601 4.4016 4.4016 4.5290 4.5290 4.5400 4.5400 4.6495 4.6495 4.6784 4.6784 4.6837 4.6837 4.9965 4.9965 5.1161 5.1161 5.1889 5.1889 5.1954 5.1954 6.2455 6.2455 6.2475 6.2475 6.2829 6.2829 8.4390 8.4390 8.5276 8.5276 8.5490 8.5490 8.6007 8.6007 8.7455 8.7455 8.7587 8.7587 11.9518 11.9518 k = 0.0000 0.0357-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6508 -25.6508 -25.6507 -25.6507 -7.1557 -7.1557 -6.1380 -6.1380 -6.0463 -6.0463 -6.0441 -6.0441 0.9812 0.9812 0.9854 0.9854 1.4308 1.4308 2.6943 2.6943 2.7446 2.7446 2.7494 2.7494 3.2779 3.2779 3.3846 3.3846 3.3907 3.3907 3.7613 3.7613 3.7972 3.7972 3.8176 3.8176 3.8465 3.8465 3.8740 3.8740 4.3999 4.3999 4.5225 4.5225 4.5437 4.5437 4.6486 4.6486 4.6762 4.6762 4.6866 4.6866 4.9971 4.9971 5.1157 5.1157 5.1845 5.1845 5.1976 5.1976 6.2375 6.2375 6.2461 6.2461 6.2791 6.2791 8.4275 8.4275 8.5115 8.5115 8.5517 8.5517 8.6401 8.6401 8.7464 8.7464 8.7769 8.7769 11.9554 11.9554 k = 0.0000 0.0536-0.0000 ( 6471 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1524 -7.1524 -6.1394 -6.1394 -6.0490 -6.0490 -6.0441 -6.0441 0.9848 0.9848 0.9925 0.9925 1.4359 1.4359 2.6914 2.6914 2.7411 2.7411 2.7510 2.7510 3.2741 3.2741 3.3781 3.3781 3.3892 3.3892 3.7390 3.7390 3.7968 3.7968 3.8212 3.8212 3.8479 3.8479 3.8911 3.8911 4.3971 4.3971 4.5156 4.5156 4.5459 4.5459 4.6474 4.6474 4.6743 4.6743 4.6896 4.6896 4.9981 4.9981 5.1149 5.1149 5.1792 5.1792 5.1991 5.1991 6.2235 6.2235 6.2438 6.2438 6.2740 6.2740 8.4080 8.4080 8.5088 8.5088 8.5562 8.5562 8.6774 8.6774 8.7514 8.7514 8.8077 8.8077 11.9612 11.9612 k = 0.0000 0.0714-0.0000 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1477 -7.1477 -6.1416 -6.1416 -6.0527 -6.0527 -6.0441 -6.0441 0.9899 0.9899 1.0023 1.0023 1.4431 1.4431 2.6861 2.6861 2.7376 2.7376 2.7533 2.7533 3.2683 3.2683 3.3697 3.3697 3.3871 3.3871 3.7148 3.7148 3.7963 3.7963 3.8237 3.8237 3.8505 3.8505 3.9096 3.9096 4.3932 4.3932 4.5086 4.5086 4.5461 4.5461 4.6461 4.6461 4.6728 4.6728 4.6927 4.6927 4.9994 4.9994 5.1138 5.1138 5.1733 5.1733 5.2002 5.2002 6.2034 6.2034 6.2407 6.2407 6.2681 6.2681 8.3851 8.3851 8.5156 8.5156 8.5623 8.5623 8.7081 8.7081 8.7605 8.7605 8.8539 8.8539 11.9689 11.9689 k = 0.0000 0.0893-0.0000 ( 6467 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6507 -25.6507 -7.1418 -7.1418 -6.1447 -6.1447 -6.0570 -6.0570 -6.0441 -6.0441 0.9963 0.9963 1.0149 1.0149 1.4523 1.4523 2.6774 2.6774 2.7353 2.7353 2.7562 2.7562 3.2602 3.2602 3.3601 3.3601 3.3844 3.3844 3.6888 3.6888 3.7958 3.7958 3.8257 3.8257 3.8540 3.8540 3.9290 3.9290 4.3881 4.3881 4.5018 4.5018 4.5444 4.5444 4.6449 4.6449 4.6715 4.6715 4.6958 4.6958 5.0010 5.0010 5.1122 5.1122 5.1668 5.1668 5.2009 5.2009 6.1776 6.1776 6.2367 6.2367 6.2617 6.2617 8.3624 8.3624 8.5284 8.5284 8.5697 8.5697 8.7321 8.7321 8.7743 8.7743 8.9142 8.9142 11.9680 11.9680 k = 0.0000 0.1071-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6507 -25.6507 -7.1347 -7.1347 -6.1488 -6.1488 -6.0618 -6.0618 -6.0441 -6.0441 1.0042 1.0042 1.0302 1.0302 1.4636 1.4636 2.6647 2.6647 2.7345 2.7345 2.7598 2.7598 3.2491 3.2491 3.3501 3.3501 3.3811 3.3811 3.6609 3.6609 3.7951 3.7951 3.8276 3.8276 3.8582 3.8582 3.9489 3.9489 4.3821 4.3821 4.4952 4.4952 4.5405 4.5405 4.6439 4.6439 4.6705 4.6705 4.6989 4.6989 5.0028 5.0028 5.1102 5.1102 5.1599 5.1599 5.2015 5.2015 6.1470 6.1470 6.2321 6.2321 6.2547 6.2547 8.3412 8.3412 8.5454 8.5454 8.5782 8.5782 8.7518 8.7518 8.7930 8.7930 8.9851 8.9851 11.9527 11.9527 k = 0.0000 0.1250-0.0000 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6508 -25.6508 -7.1263 -7.1263 -6.1543 -6.1543 -6.0668 -6.0668 -6.0441 -6.0441 1.0133 1.0133 1.0480 1.0480 1.4769 1.4769 2.6481 2.6481 2.7354 2.7354 2.7638 2.7638 3.2346 3.2346 3.3403 3.3403 3.3772 3.3772 3.6312 3.6312 3.7943 3.7943 3.8295 3.8295 3.8628 3.8628 3.9690 3.9690 4.3751 4.3751 4.4889 4.4889 4.5347 4.5347 4.6431 4.6431 4.6695 4.6695 4.7019 4.7019 5.0047 5.0047 5.1076 5.1076 5.1527 5.1527 5.2020 5.2020 6.1125 6.1125 6.2267 6.2267 6.2470 6.2470 8.3219 8.3219 8.5656 8.5656 8.5875 8.5875 8.7696 8.7696 8.8159 8.8159 9.0640 9.0640 11.9352 11.9352 k = 0.0000 0.1429-0.0000 ( 6467 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6508 -25.6508 -7.1166 -7.1166 -6.1613 -6.1613 -6.0717 -6.0717 -6.0441 -6.0441 1.0237 1.0237 1.0684 1.0684 1.4922 1.4922 2.6281 2.6281 2.7375 2.7375 2.7685 2.7685 3.2167 3.2167 3.3315 3.3315 3.3728 3.3728 3.5996 3.5996 3.7934 3.7934 3.8317 3.8317 3.8678 3.8678 3.9895 3.9895 4.3673 4.3673 4.4829 4.4829 4.5274 4.5274 4.6423 4.6423 4.6685 4.6685 4.7047 4.7047 5.0068 5.0068 5.1045 5.1045 5.1456 5.1456 5.2026 5.2026 6.0750 6.0750 6.2208 6.2208 6.2387 6.2387 8.3043 8.3043 8.5884 8.5884 8.5974 8.5974 8.7874 8.7874 8.8420 8.8420 9.1491 9.1491 11.9164 11.9164 k = 0.0000 0.1607-0.0000 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6508 -25.6508 -7.1058 -7.1058 -6.1700 -6.1700 -6.0763 -6.0763 -6.0441 -6.0441 1.0353 1.0353 1.0913 1.0913 1.5095 1.5095 2.6050 2.6050 2.7406 2.7406 2.7735 2.7735 3.1953 3.1953 3.3236 3.3236 3.3678 3.3678 3.5660 3.5660 3.7924 3.7924 3.8339 3.8339 3.8730 3.8730 4.0102 4.0102 4.3590 4.3590 4.4772 4.4772 4.5188 4.5188 4.6414 4.6414 4.6673 4.6673 4.7072 4.7072 5.0090 5.0090 5.1011 5.1011 5.1387 5.1387 5.2033 5.2033 6.0352 6.0352 6.2145 6.2145 6.2297 6.2297 8.2884 8.2884 8.6073 8.6073 8.6138 8.6138 8.8061 8.8061 8.8704 8.8704 9.2391 9.2391 11.8969 11.8969 k = 0.0000 0.1786-0.0000 ( 6471 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6511 -25.6511 -25.6508 -25.6508 -7.0939 -7.0939 -6.1805 -6.1805 -6.0803 -6.0803 -6.0441 -6.0441 1.0480 1.0480 1.1166 1.1166 1.5288 1.5288 2.5793 2.5793 2.7444 2.7444 2.7791 2.7791 3.1708 3.1708 3.3167 3.3167 3.3620 3.3620 3.5306 3.5306 3.7913 3.7913 3.8364 3.8364 3.8782 3.8782 4.0311 4.0311 4.3503 4.3503 4.4718 4.4718 4.5093 4.5093 4.6402 4.6402 4.6657 4.6657 4.7093 4.7093 5.0113 5.0113 5.0974 5.0974 5.1322 5.1322 5.2042 5.2042 5.9939 5.9939 6.2078 6.2078 6.2203 6.2203 8.2741 8.2741 8.6178 8.6178 8.6404 8.6404 8.8259 8.8259 8.9005 8.9005 9.3333 9.3333 11.8770 11.8770 k = 0.0000 0.1964-0.0000 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6512 -25.6512 -25.6508 -25.6508 -7.0809 -7.0809 -6.1929 -6.1929 -6.0838 -6.0838 -6.0441 -6.0441 1.0617 1.0617 1.1441 1.1441 1.5500 1.5500 2.5511 2.5511 2.7487 2.7487 2.7849 2.7849 3.1439 3.1439 3.3106 3.3106 3.3553 3.3553 3.4935 3.4935 3.7901 3.7901 3.8390 3.8390 3.8834 3.8834 4.0522 4.0522 4.3415 4.3415 4.4664 4.4664 4.4993 4.4993 4.6387 4.6387 4.6634 4.6634 4.7109 4.7109 5.0137 5.0137 5.0937 5.0937 5.1263 5.1263 5.2053 5.2053 5.9517 5.9517 6.2009 6.2009 6.2104 6.2104 8.2610 8.2610 8.6282 8.6282 8.6684 8.6684 8.8468 8.8468 8.9320 8.9320 9.4309 9.4309 11.8572 11.8572 k = 0.0000 0.2143-0.0000 ( 6479 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6513 -25.6513 -25.6508 -25.6508 -7.0670 -7.0670 -6.2070 -6.2070 -6.0866 -6.0866 -6.0441 -6.0441 1.0763 1.0763 1.1738 1.1738 1.5732 1.5732 2.5207 2.5207 2.7535 2.7535 2.7911 2.7911 3.1149 3.1149 3.3051 3.3051 3.3471 3.3471 3.4555 3.4555 3.7888 3.7888 3.8419 3.8419 3.8884 3.8884 4.0735 4.0735 4.3327 4.3327 4.4609 4.4609 4.4892 4.4892 4.6369 4.6369 4.6604 4.6604 4.7118 4.7118 5.0164 5.0164 5.0902 5.0902 5.1211 5.1211 5.2066 5.2066 5.9091 5.9091 6.1938 6.1938 6.2003 6.2003 8.2492 8.2492 8.6385 8.6385 8.6973 8.6973 8.8686 8.8686 8.9642 8.9642 9.5311 9.5311 11.8378 11.8378 k = 0.0000 0.2321-0.0000 ( 6483 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6508 -25.6508 -7.0520 -7.0520 -6.2226 -6.2226 -6.0889 -6.0889 -6.0441 -6.0441 1.0916 1.0916 1.2054 1.2054 1.5982 1.5982 2.4884 2.4884 2.7585 2.7585 2.7975 2.7975 3.0846 3.0846 3.3001 3.3001 3.3360 3.3360 3.4182 3.4182 3.7875 3.7875 3.8448 3.8448 3.8934 3.8934 4.0951 4.0951 4.3242 4.3242 4.4554 4.4554 4.4792 4.4792 4.6347 4.6347 4.6567 4.6567 4.7118 4.7118 5.0191 5.0191 5.0871 5.0871 5.1169 5.1169 5.2080 5.2080 5.8667 5.8667 6.1867 6.1867 6.1899 6.1899 8.2384 8.2384 8.6487 8.6487 8.7265 8.7265 8.8910 8.8910 8.9968 8.9968 9.6332 9.6332 11.8192 11.8192 k = 0.0000 0.2500-0.0000 ( 6479 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6508 -25.6508 -7.0363 -7.0363 -6.2395 -6.2395 -6.0907 -6.0907 -6.0441 -6.0441 1.1075 1.1075 1.2390 1.2390 1.6250 1.6250 2.4543 2.4543 2.7638 2.7638 2.8040 2.8040 3.0532 3.0532 3.2953 3.2953 3.3184 3.3184 3.3857 3.3857 3.7861 3.7861 3.8480 3.8480 3.8982 3.8982 4.1167 4.1167 4.3160 4.3160 4.4496 4.4496 4.4696 4.4696 4.6322 4.6322 4.6522 4.6522 4.7108 4.7108 5.0220 5.0220 5.0846 5.0846 5.1138 5.1138 5.2096 5.2096 5.8248 5.8248 6.1792 6.1792 6.1798 6.1798 8.2286 8.2286 8.6587 8.6587 8.7558 8.7558 8.9136 8.9136 9.0294 9.0294 9.7366 9.7366 11.8016 11.8016 k = 0.0000 0.2679-0.0000 ( 6483 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6515 -25.6515 -25.6508 -25.6508 -7.0197 -7.0197 -6.2576 -6.2576 -6.0922 -6.0922 -6.0441 -6.0441 1.1239 1.1239 1.2743 1.2743 1.6534 1.6534 2.4186 2.4186 2.7691 2.7691 2.8107 2.8107 3.0213 3.0213 3.2850 3.2850 3.2948 3.2948 3.3630 3.3630 3.7847 3.7847 3.8512 3.8512 3.9027 3.9027 4.1384 4.1384 4.3082 4.3082 4.4434 4.4434 4.4606 4.4606 4.6290 4.6290 4.6473 4.6473 4.7085 4.7085 5.0249 5.0249 5.0825 5.0825 5.1121 5.1121 5.2113 5.2113 5.7838 5.7838 6.1691 6.1691 6.1727 6.1727 8.2196 8.2196 8.6685 8.6685 8.7847 8.7847 8.9362 8.9362 9.0615 9.0615 9.8405 9.8405 11.7851 11.7851 k = 0.0000 0.2857-0.0000 ( 6467 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6516 -25.6516 -25.6508 -25.6508 -7.0026 -7.0026 -6.2766 -6.2766 -6.0933 -6.0933 -6.0442 -6.0442 1.1406 1.1406 1.3111 1.3111 1.6834 1.6834 2.3816 2.3816 2.7746 2.7746 2.8174 2.8174 2.9894 2.9894 3.2472 3.2472 3.2888 3.2888 3.3491 3.3491 3.7833 3.7833 3.8546 3.8546 3.9070 3.9070 4.1601 4.1601 4.3010 4.3010 4.4367 4.4367 4.4526 4.4526 4.6250 4.6250 4.6423 4.6423 4.7050 4.7050 5.0279 5.0279 5.0807 5.0807 5.1123 5.1123 5.2131 5.2131 5.7439 5.7439 6.1590 6.1590 6.1659 6.1659 8.2115 8.2115 8.6780 8.6780 8.8130 8.8130 8.9584 8.9584 9.0928 9.0928 9.9442 9.9442 11.7698 11.7698 k = 0.0000 0.3036-0.0000 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6516 -25.6516 -25.6508 -25.6508 -6.9849 -6.9849 -6.2962 -6.2962 -6.0943 -6.0943 -6.0442 -6.0442 1.1573 1.1573 1.3493 1.3493 1.7145 1.7145 2.3434 2.3434 2.7799 2.7799 2.8239 2.8239 2.9578 2.9578 3.2021 3.2021 3.2851 3.2851 3.3392 3.3392 3.7818 3.7818 3.8580 3.8580 3.9109 3.9109 4.1816 4.1816 4.2943 4.2943 4.4295 4.4295 4.4456 4.4456 4.6199 4.6199 4.6378 4.6378 4.7002 4.7002 5.0307 5.0307 5.0789 5.0789 5.1146 5.1146 5.2151 5.2151 5.7055 5.7055 6.1491 6.1491 6.1594 6.1594 8.2040 8.2040 8.6871 8.6871 8.8401 8.8401 8.9799 8.9799 9.1228 9.1228 10.0469 10.0469 11.7555 11.7555 k = 0.0000 0.3214-0.0000 ( 6479 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6517 -25.6517 -25.6508 -25.6508 -6.9669 -6.9669 -6.3163 -6.3163 -6.0950 -6.0950 -6.0442 -6.0442 1.1738 1.1738 1.3888 1.3888 1.7467 1.7467 2.3044 2.3044 2.7851 2.7851 2.8303 2.8303 2.9270 2.9270 3.1543 3.1543 3.2821 3.2821 3.3313 3.3313 3.7805 3.7805 3.8614 3.8614 3.9146 3.9146 4.2029 4.2029 4.2884 4.2884 4.4221 4.4221 4.4393 4.4393 4.6134 4.6134 4.6340 4.6340 4.6941 4.6941 5.0335 5.0335 5.0770 5.0770 5.1189 5.1189 5.2171 5.2171 5.6687 5.6687 6.1397 6.1397 6.1533 6.1533 8.1973 8.1973 8.6959 8.6959 8.8659 8.8659 9.0002 9.0002 9.1512 9.1512 10.1477 10.1477 11.7422 11.7422 k = 0.0000 0.3393-0.0000 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6518 -25.6518 -25.6508 -25.6508 -6.9487 -6.9487 -6.3365 -6.3365 -6.0956 -6.0956 -6.0442 -6.0442 1.1900 1.1900 1.4293 1.4293 1.7794 1.7794 2.2648 2.2648 2.7902 2.7902 2.8364 2.8364 2.8975 2.8975 3.1056 3.1056 3.2795 3.2795 3.3242 3.3242 3.7791 3.7791 3.8647 3.8647 3.9179 3.9179 4.2238 4.2238 4.2831 4.2831 4.4148 4.4148 4.4338 4.4338 4.6061 4.6061 4.6310 4.6310 4.6869 4.6869 5.0361 5.0361 5.0750 5.0750 5.1252 5.1252 5.2194 5.2194 5.6336 5.6336 6.1308 6.1308 6.1475 6.1475 8.1913 8.1913 8.7042 8.7042 8.8901 8.8901 9.0193 9.0193 9.1779 9.1779 10.2457 10.2457 11.7295 11.7295 k = 0.0000 0.3571-0.0000 ( 6491 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6519 -25.6519 -25.6508 -25.6508 -6.9306 -6.9306 -6.3566 -6.3566 -6.0960 -6.0960 -6.0442 -6.0442 1.2055 1.2055 1.4706 1.4706 1.8119 1.8119 2.2250 2.2250 2.7949 2.7949 2.8421 2.8421 2.8698 2.8698 3.0568 3.0568 3.2773 3.2773 3.3178 3.3178 3.7778 3.7778 3.8679 3.8679 3.9209 3.9209 4.2439 4.2439 4.2786 4.2786 4.4077 4.4077 4.4290 4.4290 4.5982 4.5982 4.6286 4.6286 4.6786 4.6786 5.0386 5.0386 5.0729 5.0729 5.1329 5.1329 5.2219 5.2219 5.6004 5.6004 6.1226 6.1226 6.1422 6.1422 8.1858 8.1858 8.7119 8.7119 8.9123 8.9123 9.0369 9.0369 9.2023 9.2023 10.3399 10.3399 11.7170 11.7170 k = 0.0000 0.3750-0.0000 ( 6471 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6519 -25.6519 -25.6508 -25.6508 -6.9128 -6.9128 -6.3762 -6.3762 -6.0964 -6.0964 -6.0442 -6.0442 1.2201 1.2201 1.5127 1.5127 1.8434 1.8434 2.1857 2.1857 2.7992 2.7992 2.8425 2.8425 2.8491 2.8491 3.0090 3.0090 3.2756 3.2756 3.3118 3.3118 3.7767 3.7767 3.8710 3.8710 3.9236 3.9236 4.2619 4.2619 4.2763 4.2763 4.4011 4.4011 4.4248 4.4248 4.5902 4.5902 4.6265 4.6265 4.6698 4.6698 5.0412 5.0412 5.0709 5.0709 5.1416 5.1416 5.2248 5.2248 5.5694 5.5694 6.1151 6.1151 6.1375 6.1375 8.1811 8.1811 8.7190 8.7190 8.9325 8.9325 9.0527 9.0527 9.2245 9.2245 10.4290 10.4290 11.7043 11.7043 k = 0.0000 0.3929-0.0000 ( 6479 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6520 -25.6520 -25.6508 -25.6508 -6.8958 -6.8958 -6.3950 -6.3950 -6.0967 -6.0967 -6.0442 -6.0442 1.2335 1.2335 1.5551 1.5551 1.8724 1.8724 2.1478 2.1478 2.8024 2.8024 2.8209 2.8209 2.8529 2.8529 2.9631 2.9631 3.2744 3.2744 3.3063 3.3063 3.7756 3.7756 3.8739 3.8739 3.9258 3.9258 4.2678 4.2678 4.2856 4.2856 4.3949 4.3949 4.4214 4.4214 4.5823 4.5823 4.6248 4.6248 4.6605 4.6605 5.0437 5.0437 5.0689 5.0689 5.1505 5.1505 5.2281 5.2281 5.5406 5.5406 6.1083 6.1083 6.1333 6.1333 8.1770 8.1770 8.7254 8.7254 8.9504 8.9504 9.0666 9.0666 9.2440 9.2440 10.5119 10.5119 11.6913 11.6913 k = 0.0000 0.4107-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6520 -25.6520 -25.6508 -25.6508 -6.8799 -6.8799 -6.4124 -6.4124 -6.0969 -6.0969 -6.0442 -6.0442 1.2454 1.2454 1.5977 1.5977 1.8964 1.8964 2.1131 2.1131 2.7970 2.7970 2.8094 2.8094 2.8571 2.8571 2.9204 2.9204 3.2737 3.2737 3.3012 3.3012 3.7746 3.7746 3.8765 3.8765 3.9277 3.9277 4.2660 4.2660 4.3020 4.3020 4.3890 4.3890 4.4189 4.4189 4.5750 4.5750 4.6235 4.6235 4.6513 4.6513 5.0462 5.0462 5.0670 5.0670 5.1592 5.1592 5.2321 5.2321 5.5144 5.5144 6.1025 6.1025 6.1297 6.1297 8.1735 8.1735 8.7309 8.7309 8.9658 8.9658 9.0786 9.0786 9.2609 9.2609 10.5869 10.5869 11.6779 11.6779 k = 0.0000 0.4286-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6520 -25.6520 -25.6508 -25.6508 -6.8656 -6.8656 -6.4279 -6.4279 -6.0970 -6.0970 -6.0442 -6.0442 1.2556 1.2556 1.6401 1.6401 1.9111 1.9111 2.0850 2.0850 2.7811 2.7811 2.8108 2.8108 2.8605 2.8605 2.8822 2.8822 3.2734 3.2734 3.2966 3.2966 3.7738 3.7738 3.8787 3.8787 3.9293 3.9293 4.2638 4.2638 4.3175 4.3175 4.3835 4.3835 4.4173 4.4173 4.5683 4.5683 4.6224 4.6224 4.6427 4.6427 5.0486 5.0486 5.0651 5.0651 5.1669 5.1669 5.2367 5.2367 5.4913 5.4913 6.0977 6.0977 6.1267 6.1267 8.1706 8.1706 8.7356 8.7356 8.9786 8.9786 9.0885 9.0885 9.2748 9.2748 10.6524 10.6524 11.6644 11.6644 k = 0.0000 0.4464-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6520 -25.6520 -25.6508 -25.6508 -6.8536 -6.8536 -6.4410 -6.4410 -6.0972 -6.0972 -6.0442 -6.0442 1.2639 1.2639 1.6817 1.6817 1.9116 1.9116 2.0680 2.0680 2.7677 2.7677 2.8127 2.8127 2.8494 2.8494 2.8640 2.8640 3.2736 3.2736 3.2926 3.2926 3.7732 3.7732 3.8805 3.8805 3.9305 3.9305 4.2621 4.2621 4.3311 4.3311 4.3781 4.3781 4.4166 4.4166 4.5625 4.5625 4.6215 4.6215 4.6352 4.6352 5.0509 5.0509 5.0632 5.0632 5.1731 5.1731 5.2416 5.2416 5.4718 5.4718 6.0939 6.0939 6.1243 6.1243 8.1684 8.1684 8.7393 8.7393 8.9887 8.9887 9.0962 9.0962 9.2857 9.2857 10.7065 10.7065 11.6517 11.6517 k = 0.0000 0.4643-0.0000 ( 6456 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6520 -25.6520 -25.6508 -25.6508 -6.8443 -6.8443 -6.4510 -6.4510 -6.0972 -6.0972 -6.0442 -6.0442 1.2699 1.2699 1.7211 1.7211 1.8969 1.8969 2.0627 2.0627 2.7579 2.7579 2.8130 2.8130 2.8260 2.8260 2.8658 2.8658 3.2742 3.2742 3.2893 3.2893 3.7727 3.7727 3.8819 3.8819 3.9313 3.9313 4.2609 4.2609 4.3425 4.3425 4.3728 4.3728 4.4166 4.4166 4.5579 4.5579 4.6210 4.6210 4.6293 4.6293 5.0532 5.0532 5.0613 5.0613 5.1777 5.1777 5.2463 5.2463 5.4567 5.4567 6.0911 6.0911 6.1226 6.1226 8.1668 8.1668 8.7420 8.7420 8.9959 8.9959 9.1017 9.1017 9.2936 9.2936 10.7471 10.7471 11.6412 11.6412 k = 0.0000 0.4821-0.0000 ( 6456 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6521 -25.6521 -25.6508 -25.6508 -6.8385 -6.8385 -6.4572 -6.4572 -6.0973 -6.0973 -6.0442 -6.0442 1.2736 1.2736 1.7548 1.7548 1.8749 1.8749 2.0634 2.0634 2.7520 2.7520 2.8060 2.8060 2.8182 2.8182 2.8671 2.8671 3.2748 3.2748 3.2870 3.2870 3.7725 3.7725 3.8827 3.8827 3.9318 3.9318 4.2601 4.2601 4.3516 4.3516 4.3675 4.3675 4.4169 4.4169 4.5549 4.5549 4.6207 4.6207 4.6255 4.6255 5.0553 5.0553 5.0594 5.0594 5.1804 5.1804 5.2498 5.2498 5.4471 5.4471 6.0894 6.0894 6.1216 6.1216 8.1658 8.1658 8.7436 8.7436 9.0003 9.0003 9.1051 9.1051 9.2983 9.2983 10.7724 10.7724 11.6341 11.6341 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8365 -6.8365 -6.4594 -6.4594 -6.0973 -6.0973 -6.0442 -6.0442 1.2748 1.2748 1.7707 1.7707 1.8624 1.8624 2.0643 2.0643 2.7500 2.7500 2.8013 2.8013 2.8177 2.8177 2.8675 2.8675 3.2751 3.2751 3.2861 3.2861 3.7724 3.7724 3.8830 3.8830 3.9319 3.9319 4.2598 4.2598 4.3566 4.3566 4.3636 4.3636 4.4170 4.4170 4.5538 4.5538 4.6206 4.6206 4.6241 4.6241 5.0569 5.0569 5.0578 5.0578 5.1812 5.1812 5.2511 5.2511 5.4438 5.4438 6.0889 6.0889 6.1212 6.1212 8.1655 8.1655 8.7442 8.7442 9.0018 9.0018 9.1062 9.1062 9.2999 9.2999 10.7810 10.7810 11.6315 11.6315 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8365 -6.8365 -6.4594 -6.4594 -6.0973 -6.0973 -6.0442 -6.0442 1.2748 1.2748 1.7707 1.7707 1.8624 1.8624 2.0643 2.0643 2.7500 2.7500 2.8013 2.8013 2.8177 2.8177 2.8675 2.8675 3.2751 3.2751 3.2861 3.2861 3.7724 3.7724 3.8830 3.8830 3.9319 3.9319 4.2598 4.2598 4.3566 4.3566 4.3636 4.3636 4.4170 4.4170 4.5538 4.5538 4.6206 4.6206 4.6241 4.6241 5.0569 5.0569 5.0578 5.0578 5.1812 5.1812 5.2511 5.2511 5.4438 5.4438 6.0889 6.0889 6.1212 6.1212 8.1655 8.1655 8.7442 8.7442 9.0018 9.0018 9.1062 9.1062 9.2999 9.2999 10.7810 10.7810 11.6315 11.6315 k = 0.0179 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8360 -6.8360 -6.4602 -6.4580 -6.0990 -6.0963 -6.0446 -6.0446 1.2742 1.2770 1.7706 1.7707 1.8615 1.8629 2.0623 2.0666 2.7474 2.7524 2.7976 2.8052 2.8166 2.8186 2.8670 2.8677 3.2743 3.2749 3.2857 3.2860 3.7660 3.7756 3.8779 3.8823 3.9325 3.9354 4.2585 4.2603 4.3505 4.3562 4.3615 4.3695 4.4144 4.4249 4.5510 4.5556 4.6130 4.6207 4.6295 4.6321 5.0408 5.0566 5.0568 5.0676 5.1786 5.1877 5.2490 5.2564 5.4401 5.4492 6.0871 6.0884 6.1197 6.1207 8.1620 8.1728 8.7410 8.7509 8.9899 9.0128 9.0996 9.1093 9.2888 9.3141 10.7797 10.7857 11.6333 11.6350 k = 0.0357 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8345 -6.8344 -6.4605 -6.4561 -6.1016 -6.0962 -6.0459 -6.0458 1.2753 1.2807 1.7706 1.7707 1.8603 1.8630 2.0607 2.0693 2.7443 2.7546 2.7941 2.8088 2.8154 2.8190 2.8664 2.8677 3.2719 3.2737 3.2846 3.2857 3.7567 3.7756 3.8682 3.8763 3.9365 3.9417 4.2563 4.2598 4.3433 4.3488 4.3650 4.3731 4.4166 4.4364 4.5462 4.5577 4.6086 4.6187 4.6379 4.6469 5.0202 5.0543 5.0558 5.0692 5.1811 5.1946 5.2510 5.2648 5.4382 5.4564 6.0831 6.0857 6.1161 6.1181 8.1622 8.1837 8.7411 8.7611 8.9781 9.0214 9.0910 9.1087 9.2809 9.3310 10.7817 10.7936 11.6403 11.6437 k = 0.0536 0.5000-0.0000 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8318 -6.8317 -6.4603 -6.4537 -6.1048 -6.0968 -6.0478 -6.0478 1.2779 1.2861 1.7706 1.7708 1.8586 1.8626 2.0595 2.0724 2.7407 2.7568 2.7911 2.8110 2.8149 2.8189 2.8657 2.8675 3.2679 3.2718 3.2825 3.2854 3.7447 3.7726 3.8553 3.8664 3.9424 3.9495 4.2535 4.2583 4.3361 4.3422 4.3679 4.3750 4.4213 4.4497 4.5404 4.5617 4.6063 4.6175 4.6495 4.6644 4.9978 5.0480 5.0544 5.0657 5.1853 5.1993 5.2595 5.2766 5.4381 5.4655 6.0770 6.0810 6.1106 6.1136 8.1661 8.1983 8.7442 8.7747 8.9672 9.0255 9.0829 9.1044 9.2759 9.3502 10.7871 10.8048 11.6524 11.6575 k = 0.0714 0.5000-0.0000 ( 6460 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8282 -6.8280 -6.4596 -6.4508 -6.1088 -6.0984 -6.0506 -6.0505 1.2820 1.2929 1.7706 1.7709 1.8565 1.8619 2.0588 2.0759 2.7363 2.7588 2.7889 2.8102 2.8172 2.8184 2.8652 2.8672 3.2623 3.2690 3.2798 3.2851 3.7304 3.7666 3.8402 3.8535 3.9494 3.9580 4.2505 4.2560 4.3297 4.3369 4.3707 4.3761 4.4263 4.4631 4.5349 4.5678 4.6053 4.6173 4.6639 4.6840 4.9748 5.0360 5.0527 5.0623 5.1869 5.2011 5.2752 5.2910 5.4399 5.4765 6.0690 6.0743 6.1035 6.1072 8.1736 8.2164 8.7495 8.7912 8.9579 9.0220 9.0784 9.0972 9.2739 9.3712 10.7958 10.8191 11.6696 11.6760 k = 0.0893 0.5000-0.0000 ( 6456 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6509 -25.6509 -6.8235 -6.8233 -6.4583 -6.4473 -6.1135 -6.1008 -6.0541 -6.0538 1.2875 1.3011 1.7705 1.7709 1.8542 1.8608 2.0585 2.0798 2.7311 2.7606 2.7876 2.8081 2.8173 2.8202 2.8648 2.8670 3.2551 3.2648 3.2768 3.2847 3.7138 3.7581 3.8235 3.8381 3.9569 3.9667 4.2476 4.2530 4.3248 4.3330 4.3736 4.3769 4.4303 4.4745 4.5312 4.5750 4.6058 4.6190 4.6805 4.7052 4.9519 5.0200 5.0508 5.0595 5.1848 5.2002 5.2958 5.3069 5.4442 5.4894 6.0593 6.0660 6.0951 6.0994 8.1846 8.2378 8.7563 8.8102 8.9509 9.0109 9.0782 9.0877 9.2749 9.3932 10.8076 10.8364 11.6915 11.6989 k = 0.1071 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2902 -34.2902 -25.6521 -25.6521 -25.6509 -25.6509 -6.8178 -6.8175 -6.4566 -6.4434 -6.1189 -6.1042 -6.0585 -6.0577 1.2944 1.3107 1.7703 1.7708 1.8516 1.8594 2.0588 2.0844 2.7253 2.7622 2.7871 2.8058 2.8157 2.8230 2.8648 2.8668 3.2465 3.2590 3.2739 3.2843 3.6954 3.7475 3.8054 3.8204 3.9646 3.9755 4.2453 4.2497 4.3216 4.3304 4.3767 4.3777 4.4332 4.4819 4.5305 4.5808 4.6083 4.6241 4.6986 4.7276 4.9294 5.0021 5.0488 5.0568 5.1802 5.1969 5.3175 5.3230 5.4522 5.5043 6.0481 6.0561 6.0859 6.0906 8.1991 8.2625 8.7631 8.8308 8.9470 8.9952 9.0772 9.0803 9.2788 9.4158 10.8224 10.8564 11.7181 11.7255 k = 0.1250 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2902 -34.2902 -25.6521 -25.6521 -25.6509 -25.6509 -6.8111 -6.8108 -6.4543 -6.4391 -6.1251 -6.1086 -6.0635 -6.0621 1.3025 1.3214 1.7700 1.7707 1.8487 1.8577 2.0598 2.0895 2.7189 2.7633 2.7874 2.8035 2.8137 2.8258 2.8652 2.8670 3.2364 3.2514 3.2714 3.2837 3.6754 3.7349 3.7863 3.8007 3.9725 3.9841 4.2436 4.2464 4.3198 4.3289 4.3783 4.3799 4.4353 4.4844 4.5322 4.5833 4.6138 4.6338 4.7176 4.7509 4.9077 4.9835 5.0468 5.0538 5.1740 5.1917 5.3364 5.3383 5.4654 5.5209 6.0355 6.0447 6.0767 6.0816 8.2168 8.2902 8.7688 8.8517 8.9464 8.9775 9.0670 9.0834 9.2853 9.4385 10.8400 10.8790 11.7487 11.7551 k = 0.1429 0.5000-0.0000 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2902 -34.2902 -25.6521 -25.6521 -25.6509 -25.6509 -6.8035 -6.8032 -6.4515 -6.4343 -6.1319 -6.1140 -6.0693 -6.0670 1.3117 1.3332 1.7696 1.7705 1.8457 1.8556 2.0616 2.0954 2.7121 2.7637 2.7882 2.8014 2.8115 2.8284 2.8660 2.8676 3.2250 3.2421 3.2690 3.2830 3.6541 3.7209 3.7665 3.7793 3.9802 3.9923 4.2426 4.2435 4.3193 4.3285 4.3791 4.3831 4.4370 4.4836 4.5341 4.5826 4.6230 4.6467 4.7368 4.7745 4.8874 4.9650 5.0449 5.0505 5.1667 5.1849 5.3496 5.3517 5.4850 5.5391 6.0217 6.0317 6.0685 6.0732 8.2375 8.3206 8.7721 8.8707 8.9490 8.9603 9.0592 9.0878 9.2941 9.4608 10.8602 10.9039 11.7829 11.7860 k = 0.1607 0.5000-0.0000 ( 6450 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6522 -25.6521 -25.6510 -25.6510 -6.7949 -6.7946 -6.4483 -6.4291 -6.1394 -6.1204 -6.0756 -6.0722 1.3219 1.3458 1.7689 1.7701 1.8425 1.8533 2.0644 2.1022 2.7051 2.7632 2.7894 2.7998 2.8095 2.8309 2.8672 2.8686 3.2123 3.2312 3.2668 3.2821 3.6318 3.7055 3.7458 3.7565 3.9878 4.0001 4.2413 4.2425 4.3199 4.3290 4.3799 4.3864 4.4385 4.4813 4.5344 4.5799 4.6356 4.6609 4.7556 4.7975 4.8691 4.9474 5.0432 5.0468 5.1589 5.1769 5.3562 5.3625 5.5104 5.5585 6.0066 6.0171 6.0622 6.0667 8.2611 8.3535 8.7724 8.8834 8.9472 8.9530 9.0561 9.0948 9.3046 9.4825 10.8828 10.9308 11.8158 11.8194 k = 0.1786 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6522 -25.6522 -25.6511 -25.6510 -6.7855 -6.7851 -6.4446 -6.4235 -6.1477 -6.1278 -6.0825 -6.0777 1.3328 1.3591 1.7679 1.7695 1.8392 1.8507 2.0683 2.1099 2.6982 2.7616 2.7906 2.7987 2.8080 2.8334 2.8688 2.8701 3.1982 3.2187 3.2647 3.2811 3.6089 3.6890 3.7246 3.7325 3.9951 4.0072 4.2402 4.2431 4.3213 4.3304 4.3808 4.3895 4.4400 4.4785 4.5330 4.5759 4.6507 4.6746 4.7728 4.8174 4.8560 4.9317 5.0417 5.0428 5.1508 5.1677 5.3571 5.3701 5.5396 5.5784 5.9902 6.0009 6.0588 6.0631 8.2873 8.3884 8.7695 8.8829 8.9439 8.9559 9.0607 9.1059 9.3163 9.5032 10.9075 10.9593 11.8402 11.8559 k = 0.1964 0.5000-0.0000 ( 6458 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6522 -25.6522 -25.6511 -25.6511 -6.7753 -6.7748 -6.4405 -6.4175 -6.1565 -6.1363 -6.0899 -6.0836 1.3444 1.3729 1.7666 1.7688 1.8359 1.8478 2.0737 2.1189 2.6915 2.7591 2.7913 2.7983 2.8077 2.8360 2.8707 2.8723 3.1828 3.2048 3.2627 3.2800 3.5855 3.6715 3.7028 3.7076 4.0021 4.0138 4.2401 4.2445 4.3234 4.3327 4.3820 4.3924 4.4418 4.4758 4.5302 4.5713 4.6673 4.6864 4.7870 4.8234 4.8593 4.9193 5.0387 5.0405 5.1426 5.1577 5.3536 5.3741 5.5703 5.5983 5.9727 5.9835 6.0592 6.0636 8.3158 8.4250 8.7640 8.8704 8.9489 8.9562 9.0742 9.1222 9.3288 9.5227 10.9338 10.9892 11.8540 11.8869 k = 0.2143 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6511 -25.6511 -6.7643 -6.7638 -6.4360 -6.4113 -6.1661 -6.1456 -6.0977 -6.0897 1.3566 1.3869 1.7649 1.7677 1.8326 1.8446 2.0807 2.1292 2.6851 2.7558 2.7913 2.7985 2.8089 2.8386 2.8729 2.8750 3.1662 3.1895 3.2609 3.2788 3.5622 3.6533 3.6804 3.6821 4.0086 4.0196 4.2413 4.2466 4.3259 4.3357 4.3835 4.3951 4.4439 4.4735 4.5268 4.5662 4.6848 4.6946 4.7958 4.8178 4.8777 4.9123 5.0346 5.0398 5.1345 5.1470 5.3464 5.3743 5.6005 5.6174 5.9541 5.9651 6.0639 6.0689 8.3463 8.4627 8.7563 8.8534 8.9547 8.9549 9.0952 9.1437 9.3418 9.5407 10.9615 11.0200 11.8538 11.9022 k = 0.2321 0.5000-0.0000 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6511 -25.6511 -6.7526 -6.7520 -6.4311 -6.4047 -6.1762 -6.1558 -6.1059 -6.0960 1.3690 1.4010 1.7627 1.7664 1.8292 1.8411 2.0896 2.1410 2.6793 2.7518 2.7909 2.7991 2.8112 2.8412 2.8754 2.8783 3.1484 3.1728 3.2592 3.2775 3.5391 3.6344 3.6562 3.6576 4.0146 4.0248 4.2436 4.2493 4.3286 4.3393 4.3853 4.3974 4.4462 4.4716 4.5231 4.5609 4.6975 4.7025 4.7973 4.8143 4.8984 4.9124 5.0307 5.0396 5.1266 5.1360 5.3363 5.3706 5.6287 5.6351 5.9348 5.9460 6.0733 6.0792 8.3784 8.5007 8.7473 8.8360 8.9529 8.9593 9.1215 9.1695 9.3550 9.5572 10.9902 11.0512 11.8392 11.8942 k = 0.2500 0.5000-0.0000 ( 6452 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6512 -25.6512 -6.7402 -6.7396 -6.4259 -6.3979 -6.1869 -6.1667 -6.1144 -6.1027 1.3816 1.4149 1.7600 1.7648 1.8258 1.8372 2.1006 2.1545 2.6742 2.7475 2.7905 2.8001 2.8144 2.8438 2.8780 2.8820 3.1292 3.1546 3.2576 3.2762 3.5166 3.6148 3.6302 3.6343 4.0200 4.0293 4.2469 4.2525 4.3314 4.3431 4.3874 4.3991 4.4487 4.4702 4.5195 4.5554 4.6947 4.7199 4.7920 4.8161 4.9185 4.9187 5.0275 5.0398 5.1189 5.1249 5.3234 5.3629 5.6510 5.6538 5.9151 5.9267 6.0877 6.0946 8.4117 8.5381 8.7375 8.8200 8.9519 8.9621 9.1512 9.1982 9.3681 9.5718 11.0194 11.0824 11.8123 11.8660 k = 0.2679 0.5000-0.0000 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6512 -25.6512 -6.7273 -6.7267 -6.4203 -6.3910 -6.1981 -6.1783 -6.1230 -6.1095 1.3942 1.4284 1.7568 1.7627 1.8223 1.8331 2.1139 2.1696 2.6698 2.7430 2.7905 2.8014 2.8181 2.8462 2.8807 2.8863 3.1089 3.1351 3.2562 3.2748 3.4948 3.5945 3.6047 3.6109 4.0250 4.0332 4.2512 4.2563 4.3342 4.3471 4.3900 4.4003 4.4517 4.4696 4.5162 4.5500 4.6872 4.7362 4.7832 4.8230 4.9285 4.9371 5.0258 5.0405 5.1115 5.1141 5.3083 5.3517 5.6652 5.6753 5.8953 5.9073 6.1067 6.1144 8.4458 8.5735 8.7278 8.8071 8.9525 8.9638 9.1828 9.2285 9.3811 9.5844 11.0486 11.1132 11.7754 11.8243 k = 0.2857 0.5000-0.0000 ( 6438 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6524 -25.6524 -25.6512 -25.6512 -6.7139 -6.7132 -6.4146 -6.3841 -6.2096 -6.1904 -6.1318 -6.1166 1.4067 1.4414 1.7531 1.7603 1.8187 1.8287 2.1297 2.1866 2.6662 2.7384 2.7911 2.8030 2.8220 2.8485 2.8835 2.8908 3.0874 3.1142 3.2549 3.2734 3.4741 3.5724 3.5811 3.5875 4.0295 4.0365 4.2562 4.2606 4.3366 4.3510 4.3929 4.4009 4.4550 4.4699 4.5134 4.5447 4.6766 4.7466 4.7775 4.8332 4.9385 4.9536 5.0262 5.0411 5.1043 5.1045 5.2914 5.3372 5.6776 5.6931 5.8759 5.8883 6.1298 6.1378 8.4801 8.6049 8.7188 8.7992 8.9547 8.9651 9.2154 9.2593 9.3939 9.5949 11.0773 11.1428 11.7308 11.7738 k = 0.3036 0.5000-0.0000 ( 6442 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6524 -25.6524 -25.6513 -25.6513 -6.7001 -6.6994 -6.4087 -6.3772 -6.2215 -6.2028 -6.1407 -6.1239 1.4190 1.4538 1.7489 1.7574 1.8151 1.8241 2.1479 2.2053 2.6635 2.7337 2.7923 2.8049 2.8261 2.8506 2.8863 2.8955 3.0647 3.0920 3.2539 3.2720 3.4547 3.5482 3.5600 3.5642 4.0335 4.0394 4.2619 4.2653 4.3388 4.3543 4.3961 4.4009 4.4586 4.4712 4.5112 4.5396 4.6647 4.7419 4.7856 4.8453 4.9465 4.9679 5.0297 5.0411 5.0963 5.0978 5.2729 5.3200 5.6885 5.7073 5.8570 5.8698 6.1560 6.1638 8.5137 8.6295 8.7113 8.7984 8.9587 8.9666 9.2481 9.2896 9.4066 9.6032 11.1052 11.1707 11.6808 11.7177 k = 0.3214 0.5000-0.0000 ( 6438 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6525 -25.6525 -25.6513 -25.6513 -6.6860 -6.6854 -6.4027 -6.3705 -6.2334 -6.2154 -6.1494 -6.1314 1.4311 1.4654 1.7442 1.7541 1.8115 1.8194 2.1685 2.2255 2.6617 2.7291 2.7942 2.8069 2.8302 2.8524 2.8893 2.9003 3.0411 3.0687 3.2530 3.2707 3.4367 3.5237 3.5403 3.5414 4.0371 4.0419 4.2680 4.2704 4.3406 4.3569 4.3993 4.4005 4.4626 4.4734 4.5095 4.5350 4.6522 4.7289 4.8015 4.8586 4.9516 4.9797 5.0366 5.0394 5.0913 5.0914 5.2534 5.3007 5.6981 5.7185 5.8390 5.8522 6.1840 6.1913 8.5458 8.6453 8.7063 8.8061 8.9643 8.9688 9.2803 9.3187 9.4191 9.6091 11.1316 11.1963 11.6275 11.6587 k = 0.3393 0.5000-0.0000 ( 6434 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6525 -25.6525 -25.6513 -25.6513 -6.6719 -6.6712 -6.3968 -6.3642 -6.2451 -6.2279 -6.1580 -6.1390 1.4427 1.4761 1.7393 1.7502 1.8080 1.8147 2.1912 2.2473 2.6609 2.7244 2.7966 2.8092 2.8342 2.8540 2.8921 2.9050 3.0168 3.0444 3.2525 3.2693 3.4205 3.4998 3.5193 3.5214 4.0402 4.0441 4.2744 4.2759 4.3419 4.3585 4.3999 4.4024 4.4671 4.4768 4.5084 4.5310 4.6400 4.7139 4.8194 4.8726 4.9539 4.9893 5.0352 5.0462 5.0853 5.0897 5.2329 5.2797 5.7067 5.7271 5.8221 5.8356 6.2128 6.2192 8.5747 8.6528 8.7048 8.8207 8.9715 8.9724 9.3115 9.3459 9.4316 9.6126 11.1561 11.2190 11.5729 11.5990 k = 0.3571 0.5000-0.0000 ( 6430 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6525 -25.6525 -25.6513 -25.6513 -6.6578 -6.6572 -6.3911 -6.3586 -6.2563 -6.2401 -6.1663 -6.1467 1.4539 1.4859 1.7341 1.7459 1.8045 1.8102 2.2159 2.2700 2.6610 2.7198 2.7995 2.8115 2.8380 2.8553 2.8949 2.9094 2.9921 3.0193 3.2521 3.2680 3.4061 3.4770 3.4983 3.5033 4.0429 4.0460 4.2810 4.2817 4.3428 4.3588 4.3993 4.4051 4.4720 4.4810 4.5077 4.5278 4.6283 4.6985 4.8380 4.8868 4.9545 4.9971 5.0291 5.0574 5.0795 5.0904 5.2120 5.2578 5.7143 5.7333 5.8067 5.8204 6.2412 6.2466 8.5987 8.6546 8.7086 8.8378 8.9781 8.9798 9.3411 9.3709 9.4442 9.6136 11.1783 11.2384 11.5190 11.5405 k = 0.3750 0.5000-0.0000 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6513 -25.6513 -6.6440 -6.6434 -6.3857 -6.3542 -6.2665 -6.2517 -6.1742 -6.1544 1.4647 1.4946 1.7289 1.7412 1.8013 1.8060 2.2419 2.2933 2.6618 2.7150 2.8027 2.8139 2.8416 2.8563 2.8972 2.9134 2.9678 2.9937 3.2521 3.2667 3.3937 3.4558 3.4788 3.4860 4.0453 4.0476 4.2876 4.2877 4.3431 4.3579 4.3989 4.4073 4.4771 4.4860 4.5075 4.5254 4.6174 4.6830 4.8568 4.9011 4.9545 5.0029 5.0226 5.0688 5.0742 5.0919 5.1909 5.2357 5.7209 5.7377 5.7929 5.8069 6.2682 6.2726 8.6160 8.6536 8.7190 8.8533 8.9868 8.9893 9.3687 9.3935 9.4568 9.6120 11.1980 11.2539 11.4673 11.4848 k = 0.3929 0.5000-0.0000 ( 6428 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6514 -25.6514 -6.6308 -6.6302 -6.3810 -6.3514 -6.2751 -6.2622 -6.1814 -6.1620 1.4748 1.5022 1.7238 1.7362 1.7984 1.8021 2.2687 2.3165 2.6635 2.7103 2.8059 2.8160 2.8449 2.8571 2.8984 2.9168 2.9451 2.9682 3.2524 3.2655 3.3835 3.4365 3.4610 3.4698 4.0473 4.0489 4.2939 4.2942 4.3430 4.3559 4.3988 4.4086 4.4823 4.4912 4.5076 4.5242 4.6075 4.6678 4.8756 4.9150 4.9546 5.0052 5.0190 5.0676 5.0813 5.0924 5.1699 5.2143 5.7266 5.7402 5.7810 5.7952 6.2931 6.2965 8.6266 8.6515 8.7352 8.8643 8.9982 8.9994 9.3940 9.4137 9.4693 9.6079 11.2151 11.2656 11.4195 11.4335 k = 0.4107 0.5000-0.0000 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6514 -25.6514 -6.6184 -6.6178 -6.3770 -6.3509 -6.2815 -6.2713 -6.1878 -6.1695 1.4842 1.5084 1.7192 1.7310 1.7958 1.7987 2.2956 2.3386 2.6657 2.7054 2.8090 2.8178 2.8480 2.8575 2.8962 2.9195 2.9273 2.9435 3.2529 3.2643 3.3754 3.4192 3.4455 3.4550 4.0489 4.0501 4.3001 4.3006 4.3423 4.3529 4.3990 4.4092 4.4873 4.4963 4.5083 4.5242 4.5991 4.6531 4.8940 4.9281 4.9560 5.0026 5.0210 5.0620 5.0903 5.0920 5.1496 5.1946 5.7312 5.7412 5.7713 5.7856 6.3152 6.3177 8.6326 8.6494 8.7549 8.8701 9.0099 9.0113 9.4165 9.4317 9.4814 9.6014 11.2294 11.2733 11.3769 11.3878 k = 0.4286 0.5000-0.0000 ( 6428 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.6072 -6.6068 -6.3740 -6.3526 -6.2855 -6.2786 -6.1930 -6.1766 1.4928 1.5132 1.7153 1.7258 1.7937 1.7959 2.3216 2.3587 2.6684 2.7005 2.8115 2.8190 2.8507 2.8576 2.8866 2.9192 2.9195 2.9221 3.2537 3.2632 3.3696 3.4043 3.4325 3.4417 4.0502 4.0510 4.3064 4.3069 4.3409 4.3491 4.3995 4.4090 4.4916 4.5001 4.5103 4.5254 4.5922 4.6389 4.9110 4.9392 4.9596 4.9997 5.0257 5.0563 5.0844 5.1009 5.1309 5.1776 5.7345 5.7407 5.7644 5.7781 6.3339 6.3356 8.6361 8.6475 8.7753 8.8712 9.0203 9.0241 9.4359 9.4475 9.4930 9.5926 11.2413 11.2774 11.3408 11.3488 k = 0.4464 0.5000-0.0000 ( 6434 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5977 -6.5974 -6.3719 -6.3560 -6.2875 -6.2837 -6.1967 -6.1832 1.5004 1.5164 1.7124 1.7210 1.7920 1.7936 2.3455 2.3753 2.6715 2.6956 2.8132 2.8194 2.8530 2.8573 2.8740 2.8996 2.9183 2.9228 3.2547 3.2620 3.3661 3.3918 3.4224 3.4304 4.0512 4.0517 4.3124 4.3129 4.3389 4.3448 4.4003 4.4082 4.4950 4.5018 4.5142 4.5273 4.5876 4.6255 4.9247 4.9465 4.9674 5.0002 5.0313 5.0503 5.0741 5.1014 5.1207 5.1643 5.7359 5.7392 5.7606 5.7726 6.3489 6.3500 8.6384 8.6460 8.7950 8.8685 9.0299 9.0350 9.4519 9.4609 9.5041 9.5818 11.2509 11.2779 11.3125 11.3175 k = 0.4643 0.5000-0.0000 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5904 -6.5902 -6.3704 -6.3601 -6.2884 -6.2868 -6.1988 -6.1890 1.5069 1.5180 1.7106 1.7168 1.7909 1.7919 2.3659 2.3869 2.6748 2.6908 2.8140 2.8188 2.8547 2.8565 2.8648 2.8831 2.9193 2.9232 3.2559 3.2608 3.3648 3.3817 3.4154 3.4213 4.0519 4.0522 4.3182 4.3188 4.3361 4.3401 4.4014 4.4070 4.4975 4.5021 4.5189 4.5289 4.5859 4.6132 4.9341 4.9491 4.9803 5.0051 5.0371 5.0441 5.0606 5.0877 5.1250 5.1542 5.7358 5.7374 5.7597 5.7685 6.3598 6.3604 8.6401 8.6448 8.8130 8.8626 9.0380 9.0427 9.4643 9.4709 9.5155 9.5693 11.2582 11.2747 11.2936 11.2950 k = 0.4821 0.5000-0.0000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5858 -6.5857 -6.3690 -6.3639 -6.2887 -6.2883 -6.1989 -6.1938 1.5121 1.5177 1.7102 1.7134 1.7903 1.7908 2.3814 2.3923 2.6783 2.6862 2.8145 2.8173 2.8546 2.8553 2.8624 2.8717 2.9208 2.9229 3.2571 3.2596 3.3657 3.3741 3.4119 3.4150 4.0524 4.0526 4.3235 4.3244 4.3327 4.3352 4.4026 4.4055 4.4994 4.5016 4.5234 4.5290 4.5880 4.6024 4.9402 4.9479 4.9965 5.0120 5.0376 5.0384 5.0520 5.0725 5.1320 5.1462 5.7353 5.7359 5.7608 5.7654 6.3664 6.3668 8.6415 8.6437 8.8290 8.8539 9.0440 9.0468 9.4728 9.4764 9.5281 9.5558 11.2628 11.2686 11.2826 11.2844 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6527 -25.6527 -25.6514 -25.6514 -6.5842 -6.5842 -6.3669 -6.3669 -6.2888 -6.2888 -6.1972 -6.1972 1.5157 1.5157 1.7112 1.7112 1.7903 1.7903 2.3904 2.3904 2.6821 2.6821 2.8156 2.8156 2.8543 2.8543 2.8652 2.8652 2.9221 2.9221 3.2584 3.2584 3.3688 3.3688 3.4118 3.4118 4.0526 4.0526 4.3281 4.3281 4.3303 4.3303 4.4041 4.4041 4.5008 4.5008 4.5270 4.5270 4.5938 4.5938 4.9447 4.9447 5.0110 5.0110 5.0331 5.0331 5.0596 5.0596 5.1391 5.1391 5.7352 5.7352 5.7628 5.7628 6.3688 6.3688 8.6427 8.6427 8.8427 8.8427 9.0471 9.0471 9.4769 9.4769 9.5417 9.5417 11.2647 11.2647 11.2805 11.2805 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6527 -25.6527 -25.6514 -25.6514 -6.5842 -6.5842 -6.3669 -6.3669 -6.2888 -6.2888 -6.1972 -6.1972 1.5157 1.5157 1.7112 1.7112 1.7903 1.7903 2.3904 2.3904 2.6821 2.6821 2.8156 2.8156 2.8543 2.8543 2.8652 2.8652 2.9221 2.9221 3.2584 3.2584 3.3688 3.3688 3.4118 3.4118 4.0526 4.0526 4.3281 4.3281 4.3303 4.3303 4.4041 4.4041 4.5008 4.5008 4.5270 4.5270 4.5938 4.5938 4.9447 4.9447 5.0110 5.0110 5.0331 5.0331 5.0596 5.0596 5.1391 5.1391 5.7352 5.7352 5.7628 5.7628 6.3688 6.3688 8.6427 8.6427 8.8427 8.8427 9.0471 9.0471 9.4769 9.4769 9.5417 9.5417 11.2647 11.2647 11.2805 11.2805 k = 0.4875 0.4875-0.0000 ( 6434 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5858 -6.5857 -6.3689 -6.3640 -6.2886 -6.2884 -6.1989 -6.1938 1.5121 1.5177 1.7101 1.7134 1.7903 1.7908 2.3815 2.3923 2.6783 2.6862 2.8144 2.8174 2.8545 2.8555 2.8624 2.8714 2.9208 2.9230 3.2571 3.2596 3.3659 3.3738 3.4119 3.4149 4.0524 4.0526 4.3220 4.3284 4.3294 4.3361 4.4026 4.4055 4.4994 4.5016 4.5234 4.5290 4.5879 4.6024 4.9403 4.9479 4.9966 5.0125 5.0362 5.0392 5.0522 5.0724 5.1321 5.1461 5.7353 5.7359 5.7608 5.7653 6.3665 6.3668 8.6415 8.6437 8.8292 8.8538 9.0439 9.0469 9.4724 9.4768 9.5285 9.5554 11.2642 11.2648 11.2846 11.2847 k = 0.4750 0.4750-0.0000 ( 6452 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5904 -6.5902 -6.3698 -6.3603 -6.2880 -6.2876 -6.1989 -6.1890 1.5070 1.5180 1.7097 1.7166 1.7911 1.7925 2.3662 2.3869 2.6748 2.6907 2.8135 2.8198 2.8559 2.8578 2.8634 2.8814 2.9191 2.9236 3.2558 3.2608 3.3656 3.3799 3.4164 3.4207 4.0519 4.0522 4.3145 4.3276 4.3292 4.3418 4.4013 4.4069 4.4977 4.5021 4.5185 4.5294 4.5851 4.6136 4.9345 4.9479 4.9817 5.0066 5.0373 5.0413 5.0613 5.0875 5.1251 5.1540 5.7362 5.7373 5.7594 5.7683 6.3600 6.3607 8.6402 8.6446 8.8134 8.8624 9.0377 9.0433 9.4609 9.4738 9.5181 9.5676 11.2547 11.2610 11.2986 11.3066 k = 0.4625 0.4625-0.0000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5978 -6.5977 -6.3696 -6.3558 -6.2867 -6.2863 -6.1973 -6.1829 1.5006 1.5168 1.7086 1.7196 1.7938 1.7962 2.3455 2.3748 2.6716 2.6956 2.8125 2.8220 2.8584 2.8605 2.8692 2.8949 2.9172 2.9243 3.2546 3.2621 3.3683 3.3859 3.4258 3.4290 4.0512 4.0518 4.3069 4.3267 4.3287 4.3468 4.4002 4.4081 4.4957 4.5024 4.5128 4.5285 4.5850 4.6270 4.9270 4.9395 4.9752 5.0012 5.0309 5.0460 5.0748 5.1016 5.1207 5.1642 5.7379 5.7391 5.7590 5.7717 6.3497 6.3506 8.6387 8.6456 8.7957 8.8685 9.0286 9.0365 9.4424 9.4687 9.5110 9.5774 11.2374 11.2497 11.3273 11.3428 k = 0.4500 0.4500-0.0000 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.6079 -6.6078 -6.3682 -6.3509 -6.2848 -6.2846 -6.1940 -6.1758 1.4932 1.5140 1.7055 1.7207 1.7998 1.8030 2.3206 2.3569 2.6688 2.7007 2.8110 2.8232 2.8621 2.8640 2.8783 2.9103 2.9164 2.9262 3.2534 3.2636 3.3737 3.3916 3.4394 3.4398 4.0502 4.0510 4.2992 4.3253 4.3280 4.3508 4.3991 4.4087 4.4936 4.5022 4.5068 4.5264 4.5875 4.6419 4.9173 4.9232 4.9773 4.9984 5.0247 5.0501 5.0848 5.1016 5.1308 5.1776 5.7400 5.7407 5.7599 5.7755 6.3358 6.3371 8.6369 8.6465 8.7762 8.8720 9.0173 9.0269 9.4188 9.4620 9.5053 9.5843 11.2140 11.2310 11.3688 11.3914 k = 0.4375 0.4375-0.0000 ( 6422 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6514 -25.6514 -6.6204 -6.6201 -6.3659 -6.3454 -6.2823 -6.2823 -6.1895 -6.1681 1.4849 1.5099 1.6995 1.7180 1.8104 1.8134 2.2925 2.3344 2.6666 2.7059 2.8089 2.8232 2.8670 2.8691 2.8875 2.9125 2.9314 2.9318 3.2523 3.2653 3.3813 3.3975 3.4518 3.4575 4.0489 4.0502 4.2916 4.3238 4.3271 4.3539 4.3981 4.4085 4.4916 4.5008 4.5020 4.5234 4.5925 4.6583 4.9044 4.9060 4.9831 4.9981 5.0190 5.0537 5.0903 5.0932 5.1498 5.1946 5.7421 5.7426 5.7621 5.7796 6.3191 6.3208 8.6346 8.6473 8.7552 8.8729 9.0042 9.0148 9.3921 9.4538 9.4995 9.5881 11.1846 11.2055 11.4212 11.4506 k = 0.4250 0.4250-0.0000 ( 6418 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6514 -25.6514 -6.6350 -6.6344 -6.3626 -6.3396 -6.2793 -6.2790 -6.1839 -6.1599 1.4757 1.5045 1.6902 1.7114 1.8255 1.8274 2.2622 2.3084 2.6654 2.7113 2.8062 2.8222 2.8728 2.8757 2.8931 2.9111 2.9440 2.9521 3.2514 3.2672 3.3908 3.4040 3.4662 3.4778 4.0473 4.0492 4.2841 4.3221 4.3259 4.3561 4.3969 4.4069 4.4899 4.4951 4.5015 4.5198 4.5998 4.6755 4.8852 4.8934 4.9902 4.9990 5.0147 5.0568 5.0832 5.0918 5.1704 5.2143 5.7433 5.7454 5.7651 5.7835 6.3003 6.3025 8.6318 8.6481 8.7328 8.8713 8.9898 9.0009 9.3634 9.4442 9.4926 9.5886 11.1495 11.1734 11.4823 11.5189 k = 0.4125 0.4125-0.0000 ( 6430 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6526 -25.6526 -25.6514 -25.6514 -6.6514 -6.6504 -6.3585 -6.3335 -6.2757 -6.2750 -6.1775 -6.1514 1.4658 1.4979 1.6779 1.7010 1.8443 1.8444 2.2304 2.2800 2.6655 2.7169 2.8031 2.8206 2.8791 2.8836 2.8945 2.9106 2.9628 2.9742 3.2506 3.2695 3.4016 3.4111 3.4821 3.5000 4.0453 4.0479 4.2767 4.3203 4.3246 4.3573 4.3956 4.4040 4.4874 4.4908 4.5006 4.5160 4.6094 4.6934 4.8663 4.8802 4.9979 4.9983 5.0141 5.0584 5.0738 5.0901 5.1915 5.2358 5.7449 5.7486 5.7679 5.7869 6.2803 6.2829 8.6283 8.6488 8.7093 8.8674 8.9746 8.9857 9.3336 9.4330 9.4840 9.5860 11.1085 11.1350 11.5501 11.5940 k = 0.4000 0.4000-0.0000 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6525 -25.6525 -25.6513 -25.6513 -6.6693 -6.6680 -6.3536 -6.3271 -6.2714 -6.2704 -6.1705 -6.1429 1.4552 1.4901 1.6629 1.6875 1.8635 1.8659 2.1980 2.2504 2.6674 2.7228 2.7996 2.8186 2.8846 2.8929 2.8934 2.9123 2.9861 2.9974 3.2501 3.2722 3.4133 3.4190 3.4995 3.5235 4.0429 4.0465 4.2695 4.3185 4.3232 4.3579 4.3938 4.3995 4.4826 4.4898 4.4991 4.5126 4.6209 4.7119 4.8479 4.8668 4.9943 5.0056 5.0182 5.0539 5.0704 5.0862 5.2129 5.2580 5.7473 5.7521 5.7699 5.7893 6.2601 6.2633 8.6241 8.6493 8.6850 8.8614 8.9591 8.9696 9.3033 9.4203 9.4734 9.5803 11.0620 11.0904 11.6220 11.6737 k = 0.3875 0.3875-0.0000 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6525 -25.6525 -25.6513 -25.6513 -6.6883 -6.6867 -6.3480 -6.3203 -6.2663 -6.2651 -6.1633 -6.1345 1.4437 1.4809 1.6455 1.6713 1.8839 1.8891 2.1658 2.2207 2.6713 2.7290 2.7958 2.8168 2.8877 2.8911 2.9034 2.9178 3.0120 3.0213 3.2500 3.2752 3.4257 3.4275 3.5181 3.5477 4.0403 4.0449 4.2625 4.3167 4.3218 4.3578 4.3916 4.3937 4.4777 4.4900 4.4964 4.5105 4.6342 4.7305 4.8302 4.8534 4.9889 5.0127 5.0250 5.0432 5.0736 5.0807 5.2342 5.2803 5.7506 5.7556 5.7705 5.7906 6.2410 6.2447 8.6188 8.6494 8.6601 8.8537 8.9433 8.9532 9.2729 9.4059 9.4606 9.5715 11.0101 11.0400 11.6952 11.7549 k = 0.3750 0.3750-0.0000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6524 -25.6524 -25.6513 -25.6513 -6.7083 -6.7065 -6.3418 -6.3133 -6.2606 -6.2592 -6.1559 -6.1263 1.4313 1.4704 1.6260 1.6528 1.9042 1.9126 2.1352 2.1922 2.6777 2.7353 2.7919 2.8156 2.8882 2.8885 2.9152 2.9272 3.0397 3.0457 3.2503 3.2788 3.4366 3.4385 3.5377 3.5724 4.0373 4.0432 4.2558 4.3150 4.3205 4.3573 4.3864 4.3885 4.4732 4.4910 4.4929 4.5098 4.6489 4.7490 4.8134 4.8403 4.9829 5.0179 5.0318 5.0331 5.0742 5.0792 5.2555 5.3023 5.7530 5.7578 5.7709 5.7915 6.2239 6.2282 8.6126 8.6348 8.6494 8.8443 8.9278 8.9369 9.2428 9.3898 9.4454 9.5597 10.9532 10.9843 11.7663 11.8343 k = 0.3625 0.3625-0.0000 ( 6438 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6524 -25.6524 -25.6513 -25.6513 -6.7291 -6.7271 -6.3350 -6.3060 -6.2542 -6.2526 -6.1485 -6.1185 1.4179 1.4584 1.6046 1.6322 1.9225 1.9340 2.1084 2.1669 2.6866 2.7415 2.7879 2.8153 2.8858 2.8872 2.9280 2.9394 3.0686 3.0706 3.2510 3.2828 3.4461 3.4515 3.5578 3.5972 4.0340 4.0413 4.2494 4.3134 4.3193 4.3563 4.3780 4.3843 4.4695 4.4892 4.4928 4.5102 4.6646 4.7663 4.7985 4.8274 4.9765 5.0136 5.0278 5.0418 5.0670 5.0862 5.2765 5.3236 5.7495 5.7559 5.7758 5.7946 6.2099 6.2147 8.6054 8.6096 8.6488 8.8335 8.9129 8.9210 9.2130 9.3718 9.4277 9.5451 10.8917 10.9236 11.8313 11.9069 k = 0.3500 0.3500-0.0000 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6513 -25.6513 -6.7504 -6.7484 -6.3276 -6.2984 -6.2472 -6.2455 -6.1412 -6.1110 1.4035 1.4448 1.5816 1.6096 1.9360 1.9485 2.0901 2.1478 2.6981 2.7470 2.7840 2.8166 2.8836 2.8855 2.9419 2.9535 3.0958 3.0982 3.2522 3.2876 3.4558 3.4644 3.5782 3.6217 4.0303 4.0392 4.2433 4.3119 4.3183 4.3547 4.3690 4.3788 4.4665 4.4859 4.4952 4.5114 4.6811 4.7733 4.7943 4.8149 4.9697 5.0011 5.0305 5.0504 5.0601 5.0942 5.2976 5.3441 5.7390 5.7474 5.7861 5.8020 6.1996 6.2049 8.5844 8.5970 8.6477 8.8210 8.8989 8.9058 9.1838 9.3520 9.4076 9.5277 10.8261 10.8585 11.8846 11.9546 k = 0.3375 0.3375-0.0000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6512 -25.6512 -6.7722 -6.7700 -6.3198 -6.2905 -6.2396 -6.2379 -6.1342 -6.1040 1.3880 1.4297 1.5570 1.5854 1.9408 1.9493 2.0871 2.1388 2.7123 2.7512 2.7801 2.8196 2.8824 2.8836 2.9568 2.9691 3.1211 3.1283 3.2542 3.2931 3.4658 3.4774 3.5986 3.6456 4.0264 4.0368 4.2378 4.3103 4.3174 4.3510 4.3614 4.3719 4.4644 4.4838 4.4983 4.5133 4.6979 4.7620 4.8029 4.8088 4.9624 4.9873 5.0331 5.0509 5.0612 5.1026 5.3190 5.3642 5.7229 5.7327 5.8004 5.8135 6.1934 6.1989 8.5595 8.5877 8.6459 8.8067 8.8864 8.8916 9.1551 9.3302 9.3849 9.5077 10.7567 10.7895 11.9189 11.9647 k = 0.3250 0.3250-0.0000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6512 -25.6512 -6.7941 -6.7920 -6.3116 -6.2825 -6.2315 -6.2298 -6.1274 -6.0975 1.3715 1.4130 1.5311 1.5596 1.9344 1.9349 2.1009 2.1424 2.7288 2.7538 2.7763 2.8239 2.8818 2.8832 2.9726 2.9860 3.1466 3.1584 3.2569 3.2996 3.4759 3.4902 3.6188 3.6687 4.0222 4.0342 4.2329 4.3082 4.3164 4.3428 4.3581 4.3637 4.4630 4.4829 4.5021 4.5156 4.7146 4.7483 4.7916 4.8258 4.9544 4.9733 5.0351 5.0445 5.0694 5.1107 5.3410 5.3840 5.7023 5.7132 5.8179 5.8282 6.1910 6.1967 8.5351 8.5775 8.6433 8.7907 8.8756 8.8784 9.1270 9.3067 9.3599 9.4850 10.6840 10.7170 11.9362 11.9691 k = 0.3125 0.3125-0.0000 ( 6450 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6521 -25.6521 -25.6512 -25.6512 -6.8162 -6.8142 -6.3030 -6.2743 -6.2229 -6.2214 -6.1209 -6.0915 1.3539 1.3948 1.5041 1.5325 1.9112 1.9178 2.1253 2.1573 2.7471 2.7548 2.7728 2.8278 2.8808 2.8876 2.9893 3.0039 3.1718 3.1878 3.2607 3.3077 3.4860 3.5028 3.6385 3.6908 4.0177 4.0311 4.2288 4.3041 4.3148 4.3337 4.3546 4.3575 4.4623 4.4835 4.5067 4.5184 4.7306 4.7347 4.7813 4.8427 4.9456 4.9594 5.0365 5.0385 5.0771 5.1180 5.3641 5.4039 5.6781 5.6898 5.8381 5.8457 6.1920 6.1977 8.5113 8.5665 8.6400 8.7730 8.8663 8.8664 9.0993 9.2814 9.3325 9.4599 10.6085 10.6414 11.9461 11.9726 k = 0.3000 0.3000-0.0000 ( 6446 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6520 -25.6520 -25.6512 -25.6512 -6.8383 -6.8363 -6.2940 -6.2659 -6.2139 -6.2125 -6.1147 -6.0860 1.3353 1.3753 1.4762 1.5043 1.8834 1.8944 2.1552 2.1802 2.7545 2.7645 2.7712 2.8299 2.8812 2.8967 3.0068 3.0227 3.1962 3.2157 3.2662 3.3181 3.4961 3.5152 3.6576 3.7115 4.0130 4.0277 4.2256 4.2962 4.3117 4.3275 4.3461 4.3581 4.4624 4.4856 4.5119 4.5217 4.7216 4.7440 4.7739 4.8585 4.9360 4.9461 5.0335 5.0376 5.0840 5.1240 5.3888 5.4248 5.6511 5.6636 5.8608 5.8654 6.1958 6.2013 8.4882 8.5549 8.6359 8.7541 8.8551 8.8585 9.0720 9.2546 9.3031 9.4325 10.5304 10.5632 11.9532 11.9756 k = 0.2875 0.2875-0.0000 ( 6462 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6520 -25.6520 -25.6512 -25.6512 -6.8603 -6.8584 -6.2848 -6.2574 -6.2046 -6.2034 -6.1090 -6.0810 1.3158 1.3545 1.4475 1.4751 1.8540 1.8673 2.1877 2.2080 2.7534 2.7650 2.7858 2.8295 2.8847 2.9105 3.0251 3.0424 3.2186 3.2406 3.2746 3.3322 3.5061 3.5272 3.6758 3.7308 4.0082 4.0238 4.2233 4.2838 4.3053 4.3249 4.3401 4.3597 4.4631 4.4889 4.5176 4.5253 4.7090 4.7481 4.7755 4.8722 4.9257 4.9344 5.0298 5.0384 5.0895 5.1286 5.4154 5.4470 5.6222 5.6355 5.8853 5.8871 6.2016 6.2068 8.4660 8.5428 8.6311 8.7345 8.8446 8.8514 9.0449 9.2263 9.2719 9.4028 10.4500 10.4826 11.9591 11.9783 k = 0.2750 0.2750-0.0000 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6519 -25.6519 -25.6512 -25.6512 -6.8820 -6.8803 -6.2754 -6.2488 -6.1950 -6.1940 -6.1035 -6.0766 1.2956 1.3327 1.4182 1.4452 1.8242 1.8384 2.2217 2.2386 2.7517 2.7620 2.8004 2.8272 2.8935 2.9281 3.0439 3.0626 3.2369 3.2612 3.2881 3.3511 3.5161 3.5391 3.6929 3.7484 4.0031 4.0193 4.2220 4.2686 4.2950 4.3248 4.3376 4.3627 4.4644 4.4935 4.5241 4.5294 4.6971 4.7424 4.7866 4.8810 4.9150 4.9273 5.0273 5.0390 5.0937 5.1317 5.4441 5.4711 5.5921 5.6064 5.9102 5.9113 6.2088 6.2136 8.4448 8.5303 8.6256 8.7145 8.8346 8.8448 9.0180 9.1970 9.2391 9.3712 10.3677 10.4000 11.9643 11.9808 k = 0.2625 0.2625-0.0000 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6518 -25.6518 -25.6511 -25.6511 -6.9034 -6.9018 -6.2658 -6.2403 -6.1852 -6.1844 -6.0984 -6.0727 1.2748 1.3102 1.3885 1.4148 1.7945 1.8086 2.2565 2.2709 2.7497 2.7591 2.8095 2.8235 2.9095 2.9485 3.0633 3.0834 3.2499 3.2770 3.3077 3.3751 3.5259 3.5506 3.7089 3.7643 3.9978 4.0143 4.2212 4.2516 4.2825 4.3259 4.3379 4.3671 4.4662 4.4991 4.5311 4.5339 4.6858 4.7342 4.7994 4.8804 4.9044 4.9293 5.0260 5.0393 5.0965 5.1334 5.4748 5.4970 5.5619 5.5771 5.9345 5.9384 6.2168 6.2211 8.4246 8.5175 8.6196 8.6948 8.8247 8.8382 8.9912 9.1668 9.2052 9.3377 10.2837 10.3156 11.9687 11.9832 k = 0.2500 0.2500-0.0000 ( 6458 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6518 -25.6517 -25.6511 -25.6511 -6.9244 -6.9230 -6.2561 -6.2318 -6.1753 -6.1746 -6.0936 -6.0692 1.2536 1.2870 1.3585 1.3840 1.7652 1.7787 2.2915 2.3040 2.7476 2.7562 2.8131 2.8191 2.9321 2.9708 3.0832 3.1046 3.2593 3.2891 3.3319 3.4029 3.5356 3.5618 3.7236 3.7783 3.9925 4.0087 4.2197 4.2335 4.2703 4.3279 4.3400 4.3730 4.4686 4.5056 4.5387 4.5388 4.6753 4.7258 4.8106 4.8719 4.8952 4.9389 5.0260 5.0394 5.0979 5.1342 5.5053 5.5190 5.5382 5.5504 5.9596 5.9660 6.2251 6.2289 8.4056 8.5044 8.6131 8.6755 8.8147 8.8311 8.9646 9.1360 9.1704 9.3027 10.1981 10.2295 11.9724 11.9855 k = 0.2375 0.2375-0.0000 ( 6458 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6517 -25.6517 -25.6511 -25.6511 -6.9449 -6.9436 -6.2463 -6.2234 -6.1653 -6.1648 -6.0891 -6.0661 1.2321 1.2635 1.3286 1.3531 1.7365 1.7491 2.3265 2.3376 2.7455 2.7534 2.8128 2.8141 2.9592 2.9942 3.1033 3.1260 3.2670 3.2987 3.3587 3.4331 3.5453 3.5728 3.7370 3.7903 3.9868 4.0024 4.2143 4.2145 4.2621 4.3305 4.3432 4.3805 4.4714 4.5128 4.5441 4.5466 4.6655 4.7176 4.8182 4.8604 4.8891 4.9514 5.0269 5.0391 5.0983 5.1343 5.4973 5.5086 5.5535 5.5611 5.9851 5.9938 6.2333 6.2366 8.3878 8.4911 8.6063 8.6570 8.8039 8.8233 8.9380 9.1051 9.1352 9.2664 10.1110 10.1420 11.9750 11.9879 k = 0.2250 0.2250-0.0000 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6516 -25.6516 -25.6510 -25.6510 -6.9648 -6.9636 -6.2366 -6.2151 -6.1553 -6.1550 -6.0849 -6.0635 1.2106 1.2399 1.2988 1.3223 1.7085 1.7200 2.3611 2.3710 2.7433 2.7508 2.8087 2.8103 2.9887 3.0184 3.1237 3.1474 3.2741 3.3069 3.3868 3.4645 3.5549 3.5836 3.7489 3.8005 3.9810 3.9956 4.1948 4.2027 4.2609 4.3336 4.3473 4.3896 4.4747 4.5201 4.5500 4.5548 4.6566 4.7099 4.8198 4.8479 4.8887 4.9647 5.0289 5.0385 5.0977 5.1342 5.4679 5.4828 5.5886 5.5950 6.0106 6.0213 6.2411 6.2439 8.3714 8.4777 8.5994 8.6395 8.7922 8.8146 8.9116 9.0744 9.0999 9.2291 10.0227 10.0533 11.9760 11.9903 k = 0.2125 0.2125-0.0000 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6515 -25.6515 -25.6510 -25.6510 -6.9840 -6.9830 -6.2271 -6.2071 -6.1453 -6.1453 -6.0809 -6.0612 1.1891 1.2164 1.2693 1.2918 1.6814 1.6916 2.3952 2.4040 2.7412 2.7483 2.8032 2.8065 3.0193 3.0430 3.1442 3.1687 3.2812 3.3142 3.4156 3.4961 3.5646 3.5942 3.7595 3.8089 3.9749 3.9881 4.1745 4.1861 4.2654 4.3370 4.3523 4.4004 4.4785 4.5271 4.5569 4.5631 4.6486 4.7026 4.8149 4.8352 4.8944 4.9781 5.0317 5.0374 5.0965 5.1342 5.4389 5.4549 5.6286 5.6320 6.0358 6.0482 6.2483 6.2505 8.3565 8.4643 8.5923 8.6231 8.7791 8.8047 8.8854 9.0441 9.0650 9.1911 9.9334 9.9634 11.9754 11.9927 k = 0.2000 0.2000-0.0000 ( 6456 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6510 -25.6510 -7.0026 -7.0017 -6.2176 -6.1994 -6.1357 -6.1355 -6.0772 -6.0593 1.1680 1.1932 1.2404 1.2617 1.6552 1.6641 2.4284 2.4364 2.7392 2.7460 2.7977 2.8020 3.0500 3.0674 3.1648 3.1897 3.2885 3.3209 3.4447 3.5275 3.5744 3.6047 3.7688 3.8156 3.9685 3.9803 4.1538 4.1668 4.2734 4.3409 4.3581 4.4126 4.4827 4.5332 4.5649 4.5715 4.6418 4.6960 4.8058 4.8227 4.9044 4.9913 5.0352 5.0360 5.0951 5.1348 5.4107 5.4274 5.6711 5.6717 6.0605 6.0743 6.2548 6.2563 8.3431 8.4511 8.5852 8.6078 8.7645 8.7935 8.8597 9.0147 9.0308 9.1528 9.8430 9.8726 11.9731 11.9950 k = 0.1875 0.1875-0.0000 ( 6456 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6510 -25.6510 -7.0203 -7.0195 -6.2084 -6.1920 -6.1262 -6.1259 -6.0736 -6.0576 1.1474 1.1705 1.2122 1.2324 1.6300 1.6376 2.4606 2.4678 2.7372 2.7437 2.7921 2.7970 3.0800 3.0916 3.1852 3.2101 3.2962 3.3272 3.4739 3.5581 3.5845 3.6151 3.7768 3.8207 3.9618 3.9720 4.1326 4.1461 4.2836 4.3451 4.3648 4.4261 4.4874 4.5379 4.5741 4.5798 4.6363 4.6899 4.7944 4.8106 4.9166 5.0039 5.0345 5.0392 5.0938 5.1361 5.3836 5.4007 5.7135 5.7155 6.0844 6.0992 6.2603 6.2612 8.3315 8.4382 8.5781 8.5937 8.7483 8.7808 8.8348 8.9862 8.9975 9.1145 9.7520 9.7811 11.9697 11.9966 k = 0.1750 0.1750-0.0000 ( 6452 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6513 -25.6513 -25.6509 -25.6509 -7.0371 -7.0365 -6.1996 -6.1849 -6.1170 -6.1166 -6.0702 -6.0562 1.1274 1.1485 1.1849 1.2038 1.6059 1.6123 2.4916 2.4981 2.7354 2.7416 2.7867 2.7919 3.1088 3.1150 3.2054 3.2299 3.3044 3.3332 3.5028 3.5876 3.5950 3.6256 3.7836 3.8244 3.9546 3.9633 4.1112 4.1245 4.2949 4.3496 4.3725 4.4404 4.4924 4.5409 4.5844 4.5879 4.6324 4.6846 4.7822 4.7988 4.9299 5.0147 5.0340 5.0437 5.0930 5.1383 5.3578 5.3751 5.7574 5.7615 6.1072 6.1227 6.2648 6.2652 8.3219 8.4259 8.5712 8.5806 8.7305 8.7663 8.8113 8.9587 8.9654 9.0768 9.6606 9.6890 11.9661 11.9968 k = 0.1625 0.1625-0.0000 ( 6445 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6512 -25.6512 -25.6509 -25.6509 -7.0531 -7.0526 -6.1911 -6.1783 -6.1081 -6.1075 -6.0670 -6.0549 1.1081 1.1274 1.1587 1.1764 1.5829 1.5883 2.5212 2.5270 2.7338 2.7396 2.7814 2.7867 3.1359 3.1376 3.2252 3.2489 3.3132 3.3390 3.5312 3.6060 3.6156 3.6365 3.7894 3.8269 3.9471 3.9545 4.0895 4.1024 4.3070 4.3543 4.3812 4.4554 4.4979 4.5424 4.5954 4.5956 4.6299 4.6799 4.7696 4.7874 4.9435 5.0205 5.0380 5.0486 5.0929 5.1414 5.3334 5.3507 5.8029 5.8087 6.1288 6.1445 6.2682 6.2684 8.3143 8.4146 8.5644 8.5683 8.7112 8.7496 8.7902 8.9323 8.9346 9.0398 9.5691 9.5968 11.9630 11.9947 k = 0.1500 0.1500-0.0000 ( 6441 PWs) bands (ev): -61.3594 -61.3594 -34.2901 -34.2901 -25.6511 -25.6511 -25.6509 -25.6509 -7.0681 -7.0677 -6.1831 -6.1722 -6.0995 -6.0989 -6.0639 -6.0538 1.0898 1.1073 1.1337 1.1501 1.5612 1.5656 2.5491 2.5543 2.7323 2.7378 2.7763 2.7816 3.1589 3.1609 3.2446 3.2669 3.3224 3.3446 3.5587 3.6177 3.6405 3.6490 3.7943 3.8284 3.9391 3.9455 4.0677 4.0802 4.3192 4.3592 4.3910 4.4705 4.5037 4.5423 4.6028 4.6065 4.6291 4.6761 4.7570 4.7765 4.9569 5.0201 5.0475 5.0539 5.0941 5.1454 5.3105 5.3276 5.8496 5.8567 6.1489 6.1645 6.2702 6.2710 8.3091 8.4047 8.5568 8.5578 8.6909 8.7304 8.7723 8.9052 8.9067 9.0041 9.4778 9.5047 11.9607 11.9914 k = 0.1375 0.1375-0.0000 ( 6461 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6511 -25.6511 -25.6509 -25.6509 -7.0820 -7.0817 -6.1755 -6.1665 -6.0914 -6.0908 -6.0610 -6.0527 1.0726 1.0883 1.1102 1.1252 1.5409 1.5443 2.5751 2.5797 2.7309 2.7361 2.7715 2.7767 3.1789 3.1833 3.2634 3.2841 3.3319 3.3500 3.5850 3.6304 3.6561 3.6695 3.7985 3.8289 3.9306 3.9364 4.0459 4.0578 4.3312 4.3641 4.4019 4.4851 4.5097 4.5412 4.6095 4.6173 4.6300 4.6731 4.7445 4.7660 4.9694 5.0177 5.0585 5.0597 5.0965 5.1502 5.2893 5.3059 5.8971 5.9050 6.1674 6.1825 6.2714 6.2727 8.3064 8.3964 8.5458 8.5515 8.6698 8.7095 8.7573 8.8773 8.8818 8.9700 9.3873 9.4131 11.9596 11.9887 k = 0.1250 0.1250-0.0000 ( 6459 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6508 -25.6508 -7.0949 -7.0947 -6.1686 -6.1613 -6.0838 -6.0831 -6.0583 -6.0517 1.0566 1.0706 1.0881 1.1019 1.5220 1.5246 2.5992 2.6032 2.7299 2.7348 2.7671 2.7720 3.1973 3.2031 3.2816 3.3005 3.3415 3.3552 3.6098 3.6443 3.6680 3.6921 3.8020 3.8287 3.9218 3.9273 4.0241 4.0355 4.3426 4.3690 4.4140 4.4987 4.5162 4.5392 4.6157 4.6260 4.6336 4.6709 4.7325 4.7559 4.9801 5.0147 5.0667 5.0694 5.1004 5.1557 5.2698 5.2859 5.9448 5.9531 6.1842 6.1984 6.2719 6.2736 8.3066 8.3902 8.5354 8.5455 8.6485 8.6882 8.7447 8.8509 8.8573 8.9379 9.2983 9.3226 11.9598 11.9872 k = 0.1125 0.1125-0.0000 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6508 -25.6508 -7.1067 -7.1065 -6.1623 -6.1567 -6.0767 -6.0760 -6.0557 -6.0508 1.0418 1.0542 1.0678 1.0802 1.5045 1.5065 2.6209 2.6244 2.7293 2.7337 2.7631 2.7677 3.2140 3.2201 3.2989 3.3161 3.3509 3.3603 3.6327 3.6595 3.6799 3.7133 3.8050 3.8280 3.9125 3.9183 4.0023 4.0134 4.3533 4.3739 4.4270 4.5103 4.5232 4.5368 4.6215 4.6306 4.6414 4.6696 4.7210 4.7462 4.9885 5.0118 5.0751 5.0797 5.1058 5.1617 5.2523 5.2675 5.9920 6.0005 6.1992 6.2122 6.2717 6.2740 8.3099 8.3865 8.5254 8.5400 8.6273 8.6672 8.7340 8.8262 8.8332 8.9081 9.2113 9.2338 11.9613 11.9872 k = 0.1000 0.1000-0.0000 ( 6471 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6508 -25.6508 -7.1174 -7.1172 -6.1567 -6.1525 -6.0702 -6.0695 -6.0533 -6.0498 1.0284 1.0392 1.0493 1.0604 1.4887 1.4901 2.6402 2.6432 2.7291 2.7331 2.7596 2.7638 3.2289 3.2344 3.3152 3.3309 3.3598 3.3652 3.6536 3.6762 3.6921 3.7328 3.8076 3.8267 3.9029 3.9094 3.9807 3.9916 4.3631 4.3787 4.4406 4.5195 4.5307 4.5344 4.6268 4.6338 4.6502 4.6691 4.7103 4.7369 4.9941 5.0089 5.0847 5.0890 5.1126 5.1680 5.2368 5.2511 6.0381 6.0463 6.2121 6.2236 6.2712 6.2739 8.3165 8.3856 8.5159 8.5349 8.6069 8.6474 8.7249 8.8035 8.8093 8.8806 9.1273 9.1473 11.9636 11.9885 k = 0.0875 0.0875-0.0000 ( 6471 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6508 -25.6508 -7.1268 -7.1268 -6.1518 -6.1489 -6.0643 -6.0637 -6.0511 -6.0489 1.0165 1.0258 1.0328 1.0425 1.4745 1.4754 2.6567 2.6592 2.7297 2.7332 2.7565 2.7603 3.2418 3.2463 3.3304 3.3446 3.3678 3.3699 3.6729 3.6939 3.7047 3.7504 3.8099 3.8250 3.8930 3.9008 3.9592 3.9703 4.3720 4.3832 4.4545 4.5263 4.5322 4.5379 4.6319 4.6368 4.6584 4.6693 4.7005 4.7280 4.9974 5.0061 5.0942 5.0971 5.1213 5.1745 5.2235 5.2367 6.0823 6.0898 6.2232 6.2328 6.2706 6.2738 8.3267 8.3877 8.5073 8.5303 8.5876 8.6290 8.7170 8.7831 8.7853 8.8557 9.0473 9.0640 11.9662 11.9905 k = 0.0750 0.0750-0.0000 ( 6483 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6508 -25.6508 -7.1351 -7.1351 -6.1477 -6.1457 -6.0591 -6.0585 -6.0492 -6.0479 1.0061 1.0140 1.0184 1.0267 1.4620 1.4626 2.6701 2.6720 2.7313 2.7342 2.7539 2.7572 3.2527 3.2560 3.3443 3.3570 3.3743 3.3747 3.6913 3.7118 3.7178 3.7663 3.8119 3.8230 3.8829 3.8923 3.9381 3.9495 4.3798 4.3875 4.4682 4.5305 4.5314 4.5437 4.6366 4.6397 4.6654 4.6701 4.6919 4.7195 4.9987 5.0037 5.1022 5.1037 5.1320 5.1808 5.2126 5.2245 6.1233 6.1300 6.2321 6.2396 6.2703 6.2739 8.3407 8.3930 8.4999 8.5261 8.5703 8.6123 8.7096 8.7611 8.7655 8.8333 8.9727 8.9851 11.9680 11.9860 k = 0.0625 0.0625-0.0000 ( 6479 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6508 -25.6508 -7.1422 -7.1421 -6.1442 -6.1431 -6.0547 -6.0541 -6.0476 -6.0470 0.9973 1.0038 1.0061 1.0130 1.4514 1.4517 2.6803 2.6816 2.7340 2.7362 2.7518 2.7546 3.2617 3.2638 3.3568 3.3679 3.3785 3.3805 3.7095 3.7292 3.7313 3.7804 3.8137 3.8206 3.8728 3.8841 3.9174 3.9294 4.3867 4.3914 4.4816 4.5294 4.5351 4.5477 4.6409 4.6425 4.6713 4.6715 4.6850 4.7114 4.9990 5.0015 5.1081 5.1088 5.1443 5.1866 5.2042 5.2146 6.1603 6.1657 6.2387 6.2441 6.2708 6.2745 8.3584 8.4013 8.4946 8.5218 8.5559 8.5974 8.7013 8.7357 8.7517 8.8132 8.9057 8.9120 11.9673 11.9774 k = 0.0500 0.0500-0.0000 ( 6483 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6508 -25.6508 -7.1480 -7.1479 -6.1415 -6.1409 -6.0510 -6.0505 -6.0463 -6.0461 0.9901 0.9953 0.9960 1.0015 1.4425 1.4427 2.6874 2.6881 2.7376 2.7391 2.7502 2.7524 3.2688 3.2700 3.3676 3.3769 3.3822 3.3851 3.7277 3.7450 3.7458 3.7927 3.8151 3.8178 3.8629 3.8762 3.8973 3.9102 4.3923 4.3949 4.4943 4.5292 4.5374 4.5494 4.6444 4.6449 4.6732 4.6757 4.6801 4.7038 4.9985 4.9997 5.1119 5.1123 5.1569 5.1914 5.1981 5.2069 6.1921 6.1961 6.2432 6.2467 6.2724 6.2758 8.3795 8.4120 8.4926 8.5171 8.5460 8.5841 8.6895 8.7075 8.7425 8.7953 8.8476 8.8490 11.9637 11.9689 k = 0.0375 0.0375-0.0000 ( 6473 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1525 -7.1525 -6.1394 -6.1391 -6.0480 -6.0477 -6.0453 -6.0452 0.9846 0.9883 0.9885 0.9924 1.4356 1.4357 2.6918 2.6921 2.7415 2.7424 2.7490 2.7507 3.2742 3.2747 3.3766 3.3838 3.3855 3.3884 3.7459 3.7588 3.7613 3.8029 3.8144 3.8159 3.8538 3.8686 3.8784 3.8922 4.3967 4.3979 4.5062 4.5298 4.5383 4.5490 4.6469 4.6470 4.6753 4.6774 4.6789 4.6968 4.9978 4.9982 5.1143 5.1144 5.1687 5.1943 5.1947 5.2012 6.2174 6.2198 6.2457 6.2479 6.2754 6.2777 8.4027 8.4235 8.4962 8.5131 8.5412 8.5725 8.6699 8.6745 8.7383 8.7796 8.7970 8.8058 11.9590 11.9613 k = 0.0250 0.0250-0.0000 ( 6465 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1557 -7.1557 -6.1380 -6.1379 -6.0459 -6.0456 -6.0447 -6.0445 0.9809 0.9829 0.9835 0.9856 1.4307 1.4307 2.6943 2.6944 2.7449 2.7454 2.7483 2.7494 3.2779 3.2781 3.3835 3.3881 3.3884 3.3905 3.7640 3.7720 3.7757 3.8095 3.8102 3.8150 3.8472 3.8615 3.8621 3.8758 4.3998 4.4002 4.5171 4.5311 4.5381 4.5463 4.6485 4.6486 4.6767 4.6777 4.6808 4.6905 4.9970 4.9972 5.1156 5.1156 5.1789 5.1923 5.1960 5.1973 6.2352 6.2360 6.2470 6.2483 6.2794 6.2803 8.4245 8.4334 8.5079 8.5145 8.5406 8.5625 8.6371 8.6390 8.7385 8.7653 8.7660 8.7770 11.9547 11.9555 k = 0.0125 0.0125-0.0000 ( 6447 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1577 -7.1577 -6.1371 -6.1371 -6.0446 -6.0444 -6.0443 -6.0442 0.9790 0.9798 0.9803 0.9812 1.4277 1.4277 2.6956 2.6956 2.7472 2.7474 2.7480 2.7486 3.2801 3.2801 3.3884 3.3900 3.3906 3.3915 3.7810 3.7839 3.7891 3.8049 3.8081 3.8115 3.8458 3.8523 3.8553 3.8618 4.4016 4.4017 4.5267 4.5330 4.5368 4.5416 4.6495 4.6495 4.6781 4.6796 4.6814 4.6852 4.9965 4.9965 5.1161 5.1161 5.1869 5.1919 5.1942 5.1957 6.2451 6.2451 6.2477 6.2482 6.2829 6.2831 8.4384 8.4398 8.5281 8.5285 8.5430 8.5542 8.5993 8.6010 8.7422 8.7513 8.7550 8.7597 11.9518 11.9519 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1583 -7.1583 -6.1369 -6.1369 -6.0441 -6.0441 -6.0441 -6.0441 0.9790 0.9790 0.9790 0.9790 1.4267 1.4267 2.6960 2.6960 2.7481 2.7481 2.7481 2.7481 3.2808 3.2808 3.3909 3.3909 3.3909 3.3909 3.7911 3.7911 3.8017 3.8017 3.8017 3.8017 3.8512 3.8512 3.8512 3.8512 4.4022 4.4022 4.5350 4.5350 4.5350 4.5350 4.6498 4.6498 4.6809 4.6809 4.6809 4.6809 4.9963 4.9963 5.1163 5.1163 5.1925 5.1925 5.1925 5.1925 6.2480 6.2480 6.2480 6.2480 6.2843 6.2843 8.4422 8.4422 8.5476 8.5476 8.5476 8.5476 8.5735 8.5735 8.7491 8.7491 8.7491 8.7491 11.9507 11.9507 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1583 -7.1583 -6.1369 -6.1369 -6.0441 -6.0441 -6.0441 -6.0441 0.9790 0.9790 0.9790 0.9790 1.4267 1.4267 2.6960 2.6960 2.7481 2.7481 2.7481 2.7481 3.2808 3.2808 3.3909 3.3909 3.3909 3.3909 3.7911 3.7911 3.8017 3.8017 3.8017 3.8017 3.8512 3.8512 3.8512 3.8512 4.4022 4.4022 4.5350 4.5350 4.5350 4.5350 4.6498 4.6498 4.6809 4.6809 4.6809 4.6809 4.9963 4.9963 5.1163 5.1163 5.1925 5.1925 5.1925 5.1925 6.2480 6.2480 6.2480 6.2480 6.2843 6.2843 8.4422 8.4422 8.5476 8.5476 8.5476 8.5476 8.5735 8.5735 8.7491 8.7491 8.7491 8.7491 11.9507 11.9507 k = 0.0102 0.0102 0.0102 ( 6445 PWs) bands (ev): -61.3595 -61.3595 -34.2900 -34.2900 -25.6507 -25.6507 -25.6507 -25.6507 -7.1577 -7.1577 -6.1371 -6.1371 -6.0445 -6.0444 -6.0444 -6.0443 0.9790 0.9800 0.9800 0.9812 1.4277 1.4277 2.6956 2.6956 2.7474 2.7474 2.7479 2.7485 3.2801 3.2801 3.3883 3.3904 3.3904 3.3914 3.7829 3.7829 3.7880 3.8067 3.8067 3.8113 3.8462 3.8537 3.8537 3.8618 4.4017 4.4017 4.5264 4.5349 4.5349 4.5418 4.6495 4.6495 4.6781 4.6804 4.6804 4.6854 4.9965 4.9965 5.1161 5.1161 5.1866 5.1932 5.1932 5.1957 6.2450 6.2450 6.2478 6.2483 6.2830 6.2830 8.4391 8.4391 8.5284 8.5284 8.5423 8.5546 8.6001 8.6001 8.7419 8.7534 8.7534 8.7595 11.9518 11.9518 k = 0.0204 0.0204 0.0204 ( 6460 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1557 -7.1557 -6.1379 -6.1379 -6.0454 -6.0452 -6.0452 -6.0450 0.9811 0.9832 0.9832 0.9855 1.4307 1.4307 2.6944 2.6944 2.7453 2.7453 2.7480 2.7493 3.2780 3.2780 3.3836 3.3887 3.3887 3.3896 3.7696 3.7696 3.7735 3.8100 3.8100 3.8109 3.8522 3.8613 3.8613 3.8746 4.4000 4.4000 4.5164 4.5348 4.5348 4.5466 4.6485 4.6485 4.6770 4.6789 4.6789 4.6910 4.9971 4.9971 5.1156 5.1156 5.1780 5.1953 5.1953 5.1962 6.2349 6.2349 6.2476 6.2488 6.2800 6.2800 8.4289 8.4289 8.5119 8.5119 8.5388 8.5631 8.6378 8.6378 8.7380 8.7681 8.7681 8.7729 11.9550 11.9550 k = 0.0306 0.0306 0.0306 ( 6472 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6507 -25.6507 -7.1525 -7.1525 -6.1392 -6.1392 -6.0468 -6.0466 -6.0466 -6.0462 0.9853 0.9883 0.9883 0.9919 1.4357 1.4357 2.6921 2.6921 2.7423 2.7423 2.7484 2.7503 3.2746 3.2746 3.3768 3.3855 3.3858 3.3858 3.7554 3.7554 3.7591 3.8041 3.8087 3.8087 3.8660 3.8731 3.8731 3.8888 4.3973 4.3973 4.5053 4.5345 4.5345 4.5492 4.6469 4.6469 4.6765 4.6765 4.6780 4.6976 4.9980 4.9980 5.1142 5.1142 5.1668 5.1941 5.1993 5.1993 6.2165 6.2165 6.2476 6.2492 6.2771 6.2771 8.4127 8.4127 8.5071 8.5071 8.5370 8.5727 8.6712 8.6712 8.7376 8.7892 8.7978 8.7978 11.9599 11.9599 k = 0.0408 0.0408 0.0408 ( 6481 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6508 -25.6508 -7.1480 -7.1480 -6.1411 -6.1411 -6.0488 -6.0486 -6.0486 -6.0480 0.9916 0.9955 0.9955 1.0004 1.4426 1.4426 2.6881 2.6881 2.7388 2.7388 2.7492 2.7517 3.2697 3.2697 3.3682 3.3790 3.3819 3.3819 3.7408 3.7408 3.7454 3.7957 3.8036 3.8036 3.8823 3.8873 3.8873 3.9040 4.3937 4.3937 4.4931 4.5339 4.5339 4.5495 4.6444 4.6444 4.6736 4.6736 4.6811 4.7049 4.9990 4.9990 5.1119 5.1119 5.1534 5.1898 5.2057 5.2057 6.1900 6.1900 6.2474 6.2495 6.2746 6.2746 8.3950 8.3950 8.5106 8.5106 8.5370 8.5832 8.6960 8.6960 8.7410 8.8082 8.8448 8.8448 11.9656 11.9656 k = 0.0510 0.0510 0.0510 ( 6478 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6508 -25.6508 -25.6508 -25.6508 -7.1421 -7.1421 -6.1434 -6.1434 -6.0513 -6.0511 -6.0511 -6.0503 0.9999 1.0046 1.0046 1.0109 1.4515 1.4515 2.6819 2.6819 2.7356 2.7356 2.7503 2.7533 3.2634 3.2634 3.3578 3.3701 3.3770 3.3770 3.7263 3.7263 3.7325 3.7872 3.7956 3.7956 3.8997 3.9029 3.9029 3.9201 4.3892 4.3892 4.4802 4.5329 4.5329 4.5479 4.6410 4.6410 4.6706 4.6706 4.6861 4.7128 5.0002 5.0002 5.1084 5.1084 5.1380 5.1835 5.2151 5.2151 6.1561 6.1561 6.2472 6.2496 6.2724 6.2724 8.3791 8.3791 8.5189 8.5189 8.5384 8.5941 8.7149 8.7149 8.7483 8.8298 8.9055 8.9055 11.9717 11.9717 k = 0.0612 0.0612 0.0612 ( 6490 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6509 -25.6509 -7.1351 -7.1351 -6.1462 -6.1462 -6.0543 -6.0542 -6.0542 -6.0531 1.0101 1.0156 1.0156 1.0234 1.4621 1.4621 2.6727 2.6727 2.7331 2.7331 2.7516 2.7552 3.2557 3.2557 3.3457 3.3589 3.3710 3.3710 3.7118 3.7118 3.7204 3.7790 3.7852 3.7852 3.9174 3.9191 3.9191 3.9368 4.3839 4.3839 4.4666 4.5315 4.5315 4.5445 4.6363 4.6363 4.6681 4.6681 4.6927 4.7210 5.0012 5.0012 5.1038 5.1038 5.1211 5.1756 5.2275 5.2275 6.1162 6.1162 6.2466 6.2493 6.2702 6.2702 8.3665 8.3665 8.5301 8.5301 8.5413 8.6050 8.7317 8.7317 8.7595 8.8538 8.9751 8.9751 11.9777 11.9777 k = 0.0714 0.0714 0.0714 ( 6478 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6509 -25.6509 -7.1268 -7.1268 -6.1495 -6.1495 -6.0577 -6.0577 -6.0577 -6.0564 1.0223 1.0285 1.0285 1.0379 1.4746 1.4746 2.6605 2.6605 2.7318 2.7318 2.7533 2.7574 3.2464 3.2464 3.3320 3.3454 3.3643 3.3643 3.6973 3.6973 3.7093 3.7713 3.7727 3.7727 3.9354 3.9356 3.9356 3.9543 4.3780 4.3780 4.4525 4.5294 4.5294 4.5397 4.6303 4.6303 4.6665 4.6665 4.7005 4.7295 5.0019 5.0019 5.0987 5.0987 5.1031 5.1665 5.2430 5.2430 6.0712 6.0712 6.2456 6.2485 6.2676 6.2676 8.3576 8.3576 8.5432 8.5432 8.5454 8.6157 8.7488 8.7488 8.7747 8.8800 9.0503 9.0503 11.9835 11.9835 k = 0.0816 0.0816 0.0816 ( 6466 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6509 -25.6509 -7.1173 -7.1173 -6.1533 -6.1533 -6.0618 -6.0618 -6.0617 -6.0602 1.0362 1.0431 1.0431 1.0542 1.4887 1.4887 2.6452 2.6452 2.7316 2.7316 2.7554 2.7599 3.2358 3.2358 3.3169 3.3297 3.3567 3.3567 3.6827 3.6827 3.6991 3.7584 3.7584 3.7640 3.9523 3.9523 3.9535 3.9724 4.3717 4.3717 4.4379 4.5267 4.5267 4.5339 4.6231 4.6231 4.6660 4.6660 4.7091 4.7382 5.0023 5.0023 5.0845 5.0933 5.0933 5.1568 5.2615 5.2615 6.0222 6.0222 6.2440 6.2471 6.2644 6.2644 8.3525 8.3525 8.5505 8.5574 8.5574 8.6261 8.7672 8.7672 8.7934 8.9082 9.1291 9.1291 11.9887 11.9887 k = 0.0918 0.0918 0.0918 ( 6472 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6509 -25.6509 -25.6509 -25.6509 -7.1066 -7.1066 -6.1575 -6.1575 -6.0663 -6.0663 -6.0661 -6.0644 1.0519 1.0593 1.0593 1.0723 1.5044 1.5044 2.6270 2.6270 2.7321 2.7321 2.7577 2.7625 3.2236 3.2236 3.3005 3.3121 3.3486 3.3486 3.6678 3.6678 3.6897 3.7425 3.7425 3.7570 3.9689 3.9689 3.9715 3.9909 4.3649 4.3649 4.4229 4.5230 4.5230 4.5273 4.6150 4.6150 4.6665 4.6665 4.7183 4.7470 5.0022 5.0022 5.0658 5.0881 5.0881 5.1466 5.2827 5.2827 5.9701 5.9701 6.2417 6.2448 6.2606 6.2606 8.3510 8.3510 8.5563 8.5723 8.5723 8.6363 8.7875 8.7875 8.8152 8.9380 9.2102 9.2102 11.9932 11.9932 k = 0.1020 0.1020 0.1020 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6510 -25.6510 -7.0947 -7.0947 -6.1621 -6.1621 -6.0713 -6.0713 -6.0709 -6.0690 1.0691 1.0770 1.0770 1.0920 1.5216 1.5216 2.6063 2.6063 2.7333 2.7333 2.7603 2.7653 3.2100 3.2100 3.2830 3.2926 3.3398 3.3398 3.6522 3.6522 3.6811 3.7255 3.7255 3.7502 3.9852 3.9852 3.9893 4.0098 4.3579 4.3579 4.4078 4.5184 4.5184 4.5201 4.6065 4.6065 4.6680 4.6680 4.7279 4.7558 5.0015 5.0015 5.0474 5.0835 5.0835 5.1365 5.3064 5.3064 5.9157 5.9157 6.2387 6.2417 6.2560 6.2560 8.3530 8.3530 8.5629 8.5873 8.5873 8.6464 8.8099 8.8099 8.8396 8.9694 9.2921 9.2921 11.9964 11.9964 k = 0.1122 0.1122 0.1122 ( 6475 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6510 -25.6510 -7.0817 -7.0817 -6.1671 -6.1671 -6.0767 -6.0767 -6.0761 -6.0741 1.0878 1.0961 1.0961 1.1132 1.5400 1.5400 2.5833 2.5833 2.7350 2.7350 2.7632 2.7684 3.1951 3.1951 3.2645 3.2715 3.3307 3.3307 3.6353 3.6353 3.6731 3.7081 3.7081 3.7437 4.0012 4.0012 4.0069 4.0290 4.3509 4.3509 4.3925 4.5126 4.5130 4.5130 4.5979 4.5979 4.6704 4.6704 4.7375 4.7645 5.0004 5.0004 5.0299 5.0796 5.0796 5.1268 5.3324 5.3324 5.8598 5.8598 6.2349 6.2377 6.2507 6.2507 8.3584 8.3584 8.5698 8.6024 8.6024 8.6564 8.8344 8.8344 8.8660 9.0019 9.3737 9.3737 11.9979 11.9979 k = 0.1224 0.1224 0.1224 ( 6469 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6510 -25.6510 -25.6510 -25.6510 -7.0677 -7.0677 -6.1724 -6.1724 -6.0824 -6.0824 -6.0817 -6.0795 1.1079 1.1165 1.1165 1.1358 1.5596 1.5596 2.5580 2.5580 2.7371 2.7371 2.7663 2.7715 3.1790 3.1790 3.2451 3.2491 3.3211 3.3211 3.6164 3.6164 3.6658 3.6910 3.6910 3.7373 4.0167 4.0167 4.0241 4.0484 4.3440 4.3440 4.3774 4.5051 4.5067 4.5067 4.5896 4.5896 4.6737 4.6737 4.7470 4.7733 4.9991 4.9991 5.0136 5.0764 5.0764 5.1176 5.3605 5.3605 5.8031 5.8031 6.2302 6.2328 6.2446 6.2446 8.3668 8.3668 8.5770 8.6173 8.6173 8.6665 8.8610 8.8610 8.8939 9.0353 9.4540 9.4540 11.9974 11.9974 k = 0.1327 0.1327 0.1327 ( 6460 PWs) bands (ev): -61.3595 -61.3595 -34.2901 -34.2901 -25.6511 -25.6511 -25.6511 -25.6511 -7.0526 -7.0526 -6.1781 -6.1781 -6.0885 -6.0885 -6.0876 -6.0853 1.1291 1.1379 1.1379 1.1597 1.5801 1.5801 2.5308 2.5308 2.7396 2.7396 2.7699 2.7749 3.1619 3.1619 3.2251 3.2257 3.3114 3.3114 3.5950 3.5950 3.6588 3.6748 3.6748 3.7308 4.0316 4.0316 4.0409 4.0678 4.3373 4.3373 4.3627 4.4978 4.4998 4.4998 4.5818 4.5818 4.6779 4.6779 4.7562 4.7819 4.9976 4.9976 4.9989 5.0738 5.0738 5.1094 5.3907 5.3907 5.7460 5.7460 6.2248 6.2270 6.2377 6.2377 8.3782 8.3782 8.5844 8.6319 8.6319 8.6768 8.8894 8.8894 8.9231 9.0695 9.5319 9.5319 11.9952 11.9952 k = 0.1429 0.1429 0.1429 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6511 -25.6511 -25.6511 -25.6511 -7.0365 -7.0365 -6.1841 -6.1841 -6.0950 -6.0950 -6.0938 -6.0915 1.1513 1.1602 1.1602 1.1846 1.6014 1.6014 2.5018 2.5018 2.7423 2.7423 2.7736 2.7783 3.1439 3.1439 3.2015 3.2046 3.3014 3.3014 3.5709 3.5709 3.6521 3.6599 3.6599 3.7243 4.0456 4.0456 4.0571 4.0871 4.3310 4.3310 4.3485 4.4907 4.4923 4.4923 4.5746 4.5746 4.6827 4.6827 4.7648 4.7903 4.9862 4.9962 4.9962 5.0717 5.0717 5.1021 5.4226 5.4226 5.6892 5.6892 6.2185 6.2203 6.2301 6.2301 8.3923 8.3923 8.5918 8.6465 8.6465 8.6871 8.9193 8.9193 8.9532 9.1042 9.6066 9.6066 11.9915 11.9915 k = 0.1531 0.1531 0.1531 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6512 -25.6512 -25.6512 -25.6512 -7.0194 -7.0194 -6.1904 -6.1904 -6.1017 -6.1017 -6.1004 -6.0979 1.1743 1.1832 1.1832 1.2105 1.6231 1.6231 2.4712 2.4712 2.7452 2.7452 2.7776 2.7816 3.1254 3.1254 3.1770 3.1839 3.2912 3.2912 3.5442 3.5442 3.6456 3.6464 3.6464 3.7176 4.0587 4.0587 4.0725 4.1060 4.3253 4.3253 4.3352 4.4843 4.4846 4.4846 4.5681 4.5681 4.6883 4.6883 4.7727 4.7987 4.9759 4.9951 4.9951 5.0699 5.0699 5.0961 5.4561 5.4561 5.6330 5.6330 6.2116 6.2128 6.2218 6.2218 8.4088 8.4088 8.5990 8.6609 8.6609 8.6974 8.9507 8.9507 8.9838 9.1392 9.6773 9.6773 11.9869 11.9869 k = 0.1633 0.1633 0.1633 ( 6457 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6512 -25.6512 -25.6512 -25.6512 -7.0015 -7.0015 -6.1970 -6.1970 -6.1087 -6.1087 -6.1071 -6.1045 1.1980 1.2067 1.2067 1.2370 1.6450 1.6450 2.4392 2.4392 2.7483 2.7483 2.7818 2.7849 3.1065 3.1065 3.1524 3.1632 3.2809 3.2809 3.5153 3.5153 3.6339 3.6339 3.6393 3.7106 4.0706 4.0706 4.0873 4.1242 4.3203 4.3203 4.3231 4.4770 4.4770 4.4786 4.5624 4.5624 4.6946 4.6946 4.7796 4.8069 4.9681 4.9944 4.9944 5.0680 5.0680 5.0913 5.4909 5.4909 5.5780 5.5780 6.2040 6.2046 6.2130 6.2130 8.4274 8.4274 8.6059 8.6754 8.6754 8.7076 8.9832 8.9832 9.0150 9.1743 9.7431 9.7431 11.9822 11.9822 k = 0.1735 0.1735 0.1735 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6513 -25.6513 -25.6513 -25.6513 -6.9827 -6.9827 -6.2037 -6.2037 -6.1159 -6.1159 -6.1141 -6.1114 1.2221 1.2305 1.2305 1.2640 1.6668 1.6668 2.4060 2.4060 2.7514 2.7514 2.7862 2.7880 3.0878 3.0878 3.1281 3.1426 3.2705 3.2705 3.4849 3.4849 3.6224 3.6224 3.6329 3.7033 4.0814 4.0814 4.1011 4.1413 4.3126 4.3161 4.3161 4.4696 4.4696 4.4739 4.5572 4.5572 4.7015 4.7015 4.7852 4.8148 4.9632 4.9942 4.9942 5.0660 5.0660 5.0877 5.5183 5.5183 5.5334 5.5334 6.1958 6.1959 6.2036 6.2036 8.4479 8.4479 8.6125 8.6903 8.6903 8.7177 9.0165 9.0165 9.0464 9.2096 9.8035 9.8035 11.9778 11.9778 k = 0.1837 0.1837 0.1837 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6514 -25.6513 -6.9632 -6.9632 -6.2106 -6.2106 -6.1232 -6.1232 -6.1213 -6.1185 1.2465 1.2542 1.2542 1.2913 1.6881 1.6881 2.3719 2.3719 2.7545 2.7545 2.7908 2.7909 3.0694 3.0694 3.1045 3.1225 3.2600 3.2600 3.4536 3.4536 3.6114 3.6114 3.6265 3.6957 4.0909 4.0909 4.1141 4.1569 4.3043 4.3126 4.3126 4.4628 4.4628 4.4704 4.5526 4.5526 4.7090 4.7090 4.7894 4.8226 4.9613 4.9944 4.9944 5.0636 5.0636 5.0855 5.4709 5.4709 5.5664 5.5664 6.1867 6.1874 6.1940 6.1940 8.4696 8.4696 8.6187 8.7058 8.7058 8.7275 9.0506 9.0506 9.0781 9.2448 9.8582 9.8582 11.9741 11.9741 k = 0.1939 0.1939 0.1939 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6514 -25.6514 -25.6514 -25.6514 -6.9429 -6.9429 -6.2177 -6.2177 -6.1308 -6.1308 -6.1286 -6.1258 1.2708 1.2778 1.2778 1.3186 1.7085 1.7085 2.3370 2.3370 2.7577 2.7577 2.7933 2.7956 3.0517 3.0517 3.0822 3.1031 3.2493 3.2493 3.4219 3.4219 3.6008 3.6008 3.6200 3.6876 4.0991 4.0991 4.1261 4.1702 4.2988 4.3100 4.3100 4.4567 4.4567 4.4680 4.5484 4.5484 4.7171 4.7171 4.7921 4.8302 4.9622 4.9948 4.9948 5.0608 5.0608 5.0845 5.4212 5.4212 5.6051 5.6051 6.1774 6.1788 6.1843 6.1843 8.4922 8.4922 8.6245 8.7222 8.7222 8.7370 9.0851 9.0851 9.1100 9.2798 9.9071 9.9071 11.9712 11.9712 k = 0.2041 0.2041 0.2041 ( 6451 PWs) bands (ev): -61.3595 -61.3595 -34.2902 -34.2902 -25.6515 -25.6515 -25.6515 -25.6515 -6.9220 -6.9220 -6.2249 -6.2249 -6.1384 -6.1384 -6.1361 -6.1332 1.2949 1.3008 1.3008 1.3457 1.7275 1.7275 2.3019 2.3019 2.7608 2.7608 2.7952 2.8004 3.0352 3.0352 3.0614 3.0847 3.2385 3.2385 3.3905 3.3905 3.5905 3.5905 3.6132 3.6791 4.1061 4.1061 4.1373 4.1806 4.2970 4.3083 4.3083 4.4515 4.4515 4.4669 4.5448 4.5448 4.7256 4.7256 4.7934 4.8374 4.9659 4.9953 4.9953 5.0574 5.0574 5.0847 5.3739 5.3739 5.6449 5.6449 6.1681 6.1703 6.1746 6.1746 8.5152 8.5152 8.6297 8.7398 8.7398 8.7459 9.1200 9.1200 9.1421 9.3147 9.9500 9.9500 11.9691 11.9691 k = 0.2143 0.2143 0.2143 ( 6457 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6515 -25.6515 -25.6515 -25.6515 -6.9005 -6.9005 -6.2322 -6.2322 -6.1461 -6.1461 -6.1436 -6.1407 1.3186 1.3231 1.3231 1.3722 1.7446 1.7446 2.2668 2.2668 2.7638 2.7638 2.7963 2.8054 3.0200 3.0200 3.0427 3.0674 3.2274 3.2274 3.3600 3.3600 3.5804 3.5804 3.6063 3.6701 4.1120 4.1120 4.1477 4.1875 4.2992 4.3072 4.3072 4.4470 4.4470 4.4671 4.5415 4.5415 4.7345 4.7345 4.7935 4.8443 4.9719 4.9952 4.9952 5.0536 5.0536 5.0860 5.3295 5.3295 5.6857 5.6857 6.1591 6.1621 6.1652 6.1652 8.5377 8.5377 8.6344 8.7543 8.7592 8.7592 9.1551 9.1551 9.1742 9.3493 9.9873 9.9873 11.9536 11.9675 k = 0.2245 0.2245 0.2245 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6516 -25.6516 -25.6516 -25.6516 -6.8785 -6.8785 -6.2396 -6.2396 -6.1539 -6.1539 -6.1512 -6.1482 1.3415 1.3444 1.3444 1.3980 1.7592 1.7592 2.2320 2.2320 2.7667 2.7667 2.7965 2.8103 3.0067 3.0067 3.0266 3.0517 3.2160 3.2160 3.3311 3.3311 3.5703 3.5703 3.5991 3.6607 4.1169 4.1169 4.1574 4.1913 4.3053 4.3068 4.3068 4.4433 4.4433 4.4683 4.5385 4.5385 4.7435 4.7435 4.7926 4.8507 4.9799 4.9938 4.9938 5.0498 5.0498 5.0883 5.2887 5.2887 5.7272 5.7272 6.1507 6.1544 6.1564 6.1564 8.5594 8.5594 8.6386 8.7621 8.7806 8.7806 9.1902 9.1902 9.2064 9.3834 10.0195 10.0195 11.9229 11.9429 k = 0.2347 0.2347 0.2347 ( 6463 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6517 -25.6517 -25.6517 -25.6517 -6.8561 -6.8561 -6.2470 -6.2470 -6.1616 -6.1616 -6.1588 -6.1558 1.3636 1.3644 1.3644 1.4227 1.7708 1.7708 2.1979 2.1979 2.7697 2.7697 2.7959 2.8152 2.9953 2.9953 3.0132 3.0377 3.2043 3.2043 3.3044 3.3044 3.5603 3.5603 3.5917 3.6509 4.1210 4.1210 4.1666 4.1927 4.3069 4.3069 4.3142 4.4403 4.4403 4.4706 4.5358 4.5358 4.7526 4.7526 4.7909 4.8567 4.9893 4.9896 4.9896 5.0468 5.0468 5.0916 5.2519 5.2519 5.7693 5.7693 6.1432 6.1477 6.1484 6.1484 8.5796 8.5796 8.6423 8.7691 8.8043 8.8043 9.2252 9.2252 9.2387 9.4171 10.0471 10.0471 11.8868 11.9114 k = 0.2449 0.2449 0.2449 ( 6469 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6517 -25.6517 -25.6517 -25.6517 -6.8334 -6.8334 -6.2543 -6.2543 -6.1694 -6.1694 -6.1664 -6.1634 1.3830 1.3830 1.3845 1.4461 1.7786 1.7786 2.1650 2.1650 2.7726 2.7726 2.7944 2.8201 2.9862 2.9862 3.0030 3.0258 3.1922 3.1922 3.2804 3.2804 3.5502 3.5502 3.5840 3.6406 4.1246 4.1246 4.1754 4.1927 4.3075 4.3075 4.3251 4.4379 4.4379 4.4737 4.5334 4.5334 4.7615 4.7615 4.7885 4.8620 4.9814 4.9814 4.9996 5.0452 5.0452 5.0955 5.2196 5.2196 5.8118 5.8118 6.1368 6.1415 6.1415 6.1421 8.5981 8.5981 8.6455 8.7755 8.8304 8.8304 9.2598 9.2598 9.2709 9.4502 10.0707 10.0707 11.8451 11.8745 k = 0.2551 0.2551 0.2551 ( 6469 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6518 -25.6518 -25.6518 -25.6518 -6.8105 -6.8105 -6.2617 -6.2617 -6.1770 -6.1770 -6.1739 -6.1710 1.3998 1.3998 1.4041 1.4678 1.7823 1.7823 2.1336 2.1336 2.7756 2.7756 2.7922 2.8249 2.9793 2.9793 2.9958 3.0160 3.1802 3.1802 3.2594 3.2594 3.5402 3.5402 3.5760 3.6299 4.1278 4.1278 4.1841 4.1924 4.3084 4.3084 4.3369 4.4360 4.4360 4.4775 4.5312 4.5312 4.7701 4.7701 4.7857 4.8667 4.9685 4.9685 5.0105 5.0453 5.0453 5.0998 5.1923 5.1923 5.8548 5.8548 6.1321 6.1361 6.1361 6.1381 8.6145 8.6145 8.6483 8.7811 8.8587 8.8587 9.2939 9.2939 9.3029 9.4825 10.0913 10.0913 11.7978 11.8320 k = 0.2653 0.2653 0.2653 ( 6457 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6519 -25.6519 -25.6519 -25.6519 -6.7874 -6.7874 -6.2690 -6.2690 -6.1846 -6.1846 -6.1814 -6.1785 1.4147 1.4147 1.4222 1.4878 1.7812 1.7812 2.1038 2.1038 2.7790 2.7790 2.7898 2.8296 2.9749 2.9749 2.9916 3.0085 3.1686 3.1686 3.2415 3.2415 3.5302 3.5302 3.5679 3.6190 4.1308 4.1308 4.1922 4.1929 4.3097 4.3097 4.3491 4.4345 4.4345 4.4817 4.5293 4.5293 4.7783 4.7783 4.7825 4.8707 4.9514 4.9514 5.0215 5.0465 5.0465 5.1043 5.1700 5.1700 5.8979 5.8979 6.1293 6.1324 6.1324 6.1361 8.6291 8.6291 8.6507 8.7860 8.8889 8.8889 9.3272 9.3272 9.3345 9.5138 10.1095 10.1095 11.7446 11.7837 k = 0.2755 0.2755 0.2755 ( 6457 PWs) bands (ev): -61.3595 -61.3595 -34.2904 -34.2904 -25.6519 -25.6519 -25.6519 -25.6519 -6.7642 -6.7642 -6.2762 -6.2762 -6.1920 -6.1920 -6.1888 -6.1859 1.4276 1.4276 1.4386 1.5057 1.7754 1.7754 2.0758 2.0758 2.7829 2.7829 2.7876 2.8343 2.9726 2.9726 2.9900 3.0033 3.1581 3.1581 3.2263 3.2263 3.5202 3.5202 3.5595 3.6077 4.1337 4.1337 4.1925 4.2017 4.3112 4.3112 4.3612 4.4332 4.4332 4.4861 4.5275 4.5275 4.7790 4.7858 4.7858 4.8739 4.9312 4.9312 5.0321 5.0477 5.0477 5.1087 5.1524 5.1524 5.9411 5.9411 6.1287 6.1309 6.1309 6.1363 8.6419 8.6419 8.6529 8.7903 8.9205 8.9205 9.3595 9.3595 9.3656 9.5440 10.1262 10.1262 11.6858 11.7293 k = 0.2857 0.2857 0.2857 ( 6454 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6520 -25.6520 -25.6520 -25.6520 -6.7410 -6.7410 -6.2833 -6.2833 -6.1993 -6.1993 -6.1960 -6.1932 1.4383 1.4383 1.4533 1.5213 1.7649 1.7649 2.0494 2.0494 2.7861 2.7875 2.7875 2.8390 2.9725 2.9725 2.9907 3.0005 3.1494 3.1494 3.2136 3.2136 3.5102 3.5102 3.5510 3.5963 4.1366 4.1366 4.1937 4.2109 4.3129 4.3129 4.3730 4.4320 4.4320 4.4906 4.5259 4.5259 4.7751 4.7925 4.7925 4.8763 4.9090 4.9090 5.0420 5.0479 5.0479 5.1126 5.1392 5.1392 5.9841 5.9841 6.1309 6.1319 6.1319 6.1392 8.6533 8.6533 8.6549 8.7939 8.9529 8.9529 9.3906 9.3906 9.3959 9.5727 10.1421 10.1421 11.6215 11.6692 k = 0.2959 0.2959 0.2959 ( 6433 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6520 -25.6520 -25.6520 -25.6520 -6.7180 -6.7180 -6.2902 -6.2902 -6.2064 -6.2064 -6.2031 -6.2003 1.4468 1.4468 1.4661 1.5346 1.7503 1.7503 2.0241 2.0241 2.7856 2.7929 2.7929 2.8439 2.9744 2.9744 2.9934 2.9998 3.1431 3.1431 3.2029 3.2029 3.5002 3.5002 3.5423 3.5847 4.1396 4.1396 4.1958 4.2205 4.3150 4.3150 4.3843 4.4309 4.4309 4.4952 4.5244 4.5244 4.7710 4.7983 4.7983 4.8779 4.8861 4.8861 5.0465 5.0465 5.0508 5.1156 5.1298 5.1298 6.0268 6.0268 6.1358 6.1358 6.1361 6.1451 8.6568 8.6635 8.6635 8.7971 8.9856 8.9856 9.4200 9.4200 9.4250 9.5996 10.1580 10.1580 11.5523 11.6036 k = 0.3061 0.3061 0.3061 ( 6439 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6521 -25.6521 -25.6521 -25.6521 -6.6952 -6.6952 -6.2970 -6.2970 -6.2133 -6.2133 -6.2100 -6.2073 1.4531 1.4531 1.4772 1.5456 1.7323 1.7323 1.9992 1.9992 2.7866 2.7993 2.7993 2.8491 2.9779 2.9779 2.9975 3.0011 3.1395 3.1395 3.1940 3.1940 3.4903 3.4903 3.5335 3.5730 4.1427 4.1427 4.1989 4.2305 4.3172 4.3172 4.3951 4.4296 4.4296 4.4995 4.5229 4.5229 4.7667 4.8029 4.8029 4.8636 4.8636 4.8788 5.0427 5.0427 5.0582 5.1173 5.1234 5.1234 6.0689 6.0689 6.1428 6.1428 6.1444 6.1541 8.6587 8.6726 8.6726 8.7997 9.0180 9.0180 9.4474 9.4474 9.4527 9.6243 10.1743 10.1743 11.4789 11.5333 k = 0.3163 0.3163 0.3163 ( 6433 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6522 -25.6521 -25.6521 -25.6521 -6.6728 -6.6728 -6.3037 -6.3037 -6.2200 -6.2200 -6.2167 -6.2141 1.4573 1.4573 1.4864 1.5541 1.7120 1.7120 1.9744 1.9744 2.7892 2.8068 2.8068 2.8547 2.9829 2.9829 3.0029 3.0042 3.1385 3.1385 3.1871 3.1871 3.4805 3.4805 3.5246 3.5613 4.1458 4.1458 4.2031 4.2410 4.3197 4.3197 4.4053 4.4283 4.4283 4.5037 4.5214 4.5214 4.7621 4.8058 4.8058 4.8429 4.8429 4.8788 5.0368 5.0368 5.0638 5.1176 5.1192 5.1192 6.1100 6.1100 6.1535 6.1535 6.1562 6.1666 8.6607 8.6811 8.6811 8.8021 9.0497 9.0497 9.4725 9.4725 9.4784 9.6465 10.1917 10.1917 11.4022 11.4591 k = 0.3265 0.3265 0.3265 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6522 -25.6522 -25.6522 -25.6522 -6.6507 -6.6507 -6.3101 -6.3101 -6.2264 -6.2264 -6.2232 -6.2206 1.4593 1.4593 1.4938 1.5603 1.6903 1.6903 1.9491 1.9491 2.7936 2.8152 2.8152 2.8608 2.9892 2.9892 3.0087 3.0091 3.1392 3.1392 3.1825 3.1825 3.4709 3.4709 3.5158 3.5496 4.1490 4.1490 4.2083 4.2521 4.3225 4.3225 4.4148 4.4267 4.4267 4.5075 4.5199 4.5199 4.7573 4.8040 4.8040 4.8273 4.8273 4.8782 5.0289 5.0289 5.0676 5.1161 5.1161 5.1161 6.1479 6.1479 6.1699 6.1699 6.1715 6.1825 8.6630 8.6890 8.6890 8.8042 9.0802 9.0802 9.4948 9.4948 9.5017 9.6655 10.2105 10.2105 11.3233 11.3822 k = 0.3367 0.3367 0.3367 ( 6437 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6523 -25.6523 -25.6522 -25.6522 -6.6293 -6.6293 -6.3163 -6.3163 -6.2325 -6.2325 -6.2294 -6.2269 1.4594 1.4594 1.4996 1.5643 1.6679 1.6679 1.9231 1.9231 2.7997 2.8246 2.8246 2.8675 2.9965 2.9965 3.0144 3.0161 3.1402 3.1402 3.1816 3.1816 3.4614 3.4614 3.5070 3.5380 4.1522 4.1522 4.2146 4.2637 4.3256 4.3256 4.4238 4.4249 4.4249 4.5110 4.5183 4.5183 4.7524 4.7928 4.7928 4.8222 4.8222 4.8769 5.0197 5.0197 5.0693 5.1128 5.1131 5.1131 6.1756 6.1756 6.1902 6.1989 6.1989 6.2018 8.6657 8.6967 8.6967 8.8062 9.1092 9.1092 9.5138 9.5138 9.5221 9.6810 10.2311 10.2311 11.2435 11.3039 k = 0.3469 0.3469 0.3469 ( 6431 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6523 -25.6523 -25.6523 -25.6523 -6.6084 -6.6084 -6.3223 -6.3223 -6.2383 -6.2383 -6.2353 -6.2330 1.4577 1.4577 1.5039 1.5663 1.6456 1.6456 1.8963 1.8963 2.8075 2.8348 2.8348 2.8747 3.0046 3.0046 3.0211 3.0235 3.1398 3.1398 3.1855 3.1855 3.4522 3.4522 3.4983 3.5266 4.1553 4.1553 4.2219 4.2758 4.3290 4.3290 4.4229 4.4229 4.4321 4.5141 4.5166 4.5166 4.7475 4.7778 4.7778 4.8223 4.8223 4.8750 5.0094 5.0094 5.0690 5.1075 5.1095 5.1095 6.1977 6.1977 6.2123 6.2244 6.2358 6.2358 8.6690 8.7042 8.7042 8.8083 9.1363 9.1363 9.5290 9.5290 9.5388 9.6921 10.2537 10.2537 11.1643 11.2257 k = 0.3571 0.3571 0.3571 ( 6425 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6524 -25.6523 -25.6523 -25.6523 -6.5883 -6.5883 -6.3280 -6.3280 -6.2438 -6.2438 -6.2410 -6.2387 1.4544 1.4544 1.5068 1.5665 1.6241 1.6241 1.8687 1.8687 2.8168 2.8457 2.8457 2.8823 3.0133 3.0133 3.0284 3.0312 3.1376 3.1376 3.1941 3.1941 3.4434 3.4434 3.4897 3.5154 4.1584 4.1584 4.2303 4.2884 4.3327 4.3327 4.4206 4.4206 4.4399 4.5148 4.5148 4.5167 4.7425 4.7636 4.7636 4.8233 4.8233 4.8724 4.9986 4.9986 5.0668 5.1003 5.1049 5.1049 6.2210 6.2210 6.2374 6.2499 6.2730 6.2730 8.6729 8.7117 8.7117 8.8105 9.1615 9.1615 9.5399 9.5399 9.5513 9.6985 10.2782 10.2782 11.0871 11.1476 k = 0.3673 0.3673 0.3673 ( 6437 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6524 -25.6524 -25.6524 -25.6524 -6.5690 -6.5690 -6.3335 -6.3335 -6.2489 -6.2489 -6.2463 -6.2442 1.4496 1.4496 1.5086 1.5651 1.6038 1.6038 1.8407 1.8407 2.8273 2.8569 2.8569 2.8904 3.0224 3.0224 3.0361 3.0390 3.1342 3.1342 3.2062 3.2062 3.4350 3.4350 3.4814 3.5045 4.1612 4.1612 4.2397 4.3013 4.3368 4.3368 4.4181 4.4181 4.4470 4.5128 4.5128 4.5187 4.7376 4.7512 4.7512 4.8241 4.8241 4.8693 4.9872 4.9872 5.0627 5.0913 5.0989 5.0989 6.2464 6.2464 6.2652 6.2780 6.3093 6.3093 8.6777 8.7195 8.7195 8.8130 9.1846 9.1846 9.5459 9.5459 9.5588 9.6993 10.3049 10.3049 11.0134 11.0726 k = 0.3776 0.3776 0.3776 ( 6437 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6525 -25.6525 -25.6525 -25.6525 -6.5506 -6.5506 -6.3387 -6.3387 -6.2537 -6.2537 -6.2513 -6.2493 1.4437 1.4437 1.5094 1.5624 1.5852 1.5852 1.8125 1.8125 2.8388 2.8684 2.8684 2.8987 3.0317 3.0317 3.0440 3.0467 3.1304 3.1304 3.2203 3.2203 3.4273 3.4273 3.4733 3.4940 4.1637 4.1637 4.2500 4.3146 4.3411 4.3411 4.4154 4.4154 4.4536 4.5106 4.5106 4.5201 4.7330 4.7411 4.7411 4.8246 4.8246 4.8656 4.9758 4.9758 5.0572 5.0808 5.0916 5.0916 6.2738 6.2738 6.2952 6.3081 6.3442 6.3442 8.6834 8.7276 8.7276 8.8160 9.2054 9.2054 9.5468 9.5468 9.5608 9.6941 10.3334 10.3334 10.9447 11.0021 k = 0.3878 0.3878 0.3878 ( 6449 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6525 -25.6525 -25.6525 -25.6525 -6.5332 -6.5332 -6.3437 -6.3437 -6.2581 -6.2581 -6.2559 -6.2541 1.4367 1.4367 1.5095 1.5587 1.5684 1.5684 1.7844 1.7844 2.8510 2.8799 2.8799 2.9072 3.0411 3.0411 3.0519 3.0542 3.1265 3.1265 3.2356 3.2356 3.4203 3.4203 3.4656 3.4839 4.1659 4.1659 4.2611 4.3279 4.3458 4.3458 4.4125 4.4125 4.4596 4.5084 4.5084 4.5209 4.7288 4.7331 4.7331 4.8245 4.8245 4.8613 4.9645 4.9645 5.0503 5.0691 5.0830 5.0830 6.3027 6.3027 6.3268 6.3398 6.3775 6.3775 8.6903 8.7362 8.7362 8.8195 9.2240 9.2240 9.5420 9.5420 9.5567 9.6826 10.3636 10.3636 10.8822 10.9372 k = 0.3980 0.3980 0.3980 ( 6443 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6525 -25.6525 -6.5169 -6.5169 -6.3483 -6.3483 -6.2621 -6.2621 -6.2602 -6.2585 1.4291 1.4291 1.5090 1.5537 1.5537 1.5542 1.7567 1.7567 2.8636 2.8912 2.8912 2.9156 3.0504 3.0504 3.0595 3.0615 3.1228 3.1228 3.2510 3.2510 3.4143 3.4143 3.4584 3.4744 4.1677 4.1677 4.2731 4.3413 4.3506 4.3506 4.4096 4.4096 4.4650 4.5062 4.5062 4.5209 4.7252 4.7275 4.7275 4.8239 4.8239 4.8564 4.9536 4.9536 5.0424 5.0565 5.0732 5.0732 6.3324 6.3324 6.3595 6.3722 6.4088 6.4088 8.6985 8.7454 8.7454 8.8236 9.2404 9.2404 9.5317 9.5317 9.5465 9.6646 10.3953 10.3953 10.8270 10.8789 k = 0.4082 0.4082 0.4082 ( 6437 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6526 -25.6526 -6.5018 -6.5018 -6.3527 -6.3527 -6.2657 -6.2657 -6.2641 -6.2625 1.4210 1.4210 1.5082 1.5412 1.5412 1.5491 1.7298 1.7298 2.8764 2.9022 2.9022 2.9238 3.0594 3.0594 3.0668 3.0683 3.1194 3.1194 3.2658 3.2658 3.4096 3.4096 3.4516 3.4655 4.1690 4.1690 4.2857 4.3543 4.3557 4.3557 4.4068 4.4068 4.4699 4.5039 4.5039 4.5202 4.7224 4.7240 4.7240 4.8225 4.8225 4.8509 4.9437 4.9437 5.0338 5.0435 5.0624 5.0624 6.3623 6.3623 6.3924 6.4048 6.4382 6.4382 8.7082 8.7553 8.7553 8.8284 9.2545 9.2545 9.5161 9.5161 9.5303 9.6405 10.4281 10.4281 10.7798 10.8278 k = 0.4184 0.4184 0.4184 ( 6461 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6526 -25.6526 -6.4880 -6.4880 -6.3568 -6.3568 -6.2690 -6.2690 -6.2676 -6.2662 1.4129 1.4129 1.5071 1.5309 1.5309 1.5437 1.7041 1.7041 2.8890 2.9126 2.9126 2.9316 3.0678 3.0678 3.0734 3.0745 3.1163 3.1163 3.2791 3.2791 3.4065 3.4065 3.4454 3.4572 4.1698 4.1698 4.2989 4.3606 4.3606 4.3668 4.4040 4.4040 4.4742 4.5017 4.5017 4.5184 4.7206 4.7224 4.7224 4.8200 4.8200 4.8445 4.9349 4.9349 5.0248 5.0304 5.0509 5.0509 6.3916 6.3916 6.4249 6.4367 6.4653 6.4653 8.7193 8.7659 8.7659 8.8338 9.2663 9.2663 9.4959 9.4959 9.5088 9.6109 10.4616 10.4616 10.7406 10.7841 k = 0.4286 0.4286 0.4286 ( 6461 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4754 -6.4754 -6.3607 -6.3607 -6.2718 -6.2718 -6.2707 -6.2695 1.4051 1.4051 1.5061 1.5226 1.5226 1.5383 1.6798 1.6798 2.9012 2.9222 2.9222 2.9388 3.0757 3.0757 3.0794 3.0800 3.1136 3.1136 3.2902 3.2902 3.4053 3.4053 3.4398 3.4497 4.1703 4.1703 4.3125 4.3655 4.3655 4.3785 4.4016 4.4016 4.4781 4.4997 4.4997 4.5160 4.7201 4.7227 4.7227 4.8163 4.8163 4.8372 4.9279 4.9279 5.0159 5.0179 5.0389 5.0389 6.4194 6.4194 6.4562 6.4672 6.4902 6.4902 8.7321 8.7772 8.7772 8.8396 9.2757 9.2757 9.4723 9.4723 9.4832 9.5771 10.4951 10.4951 10.7095 10.7477 k = 0.4388 0.4388 0.4388 ( 6458 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4642 -6.4642 -6.3642 -6.3642 -6.2742 -6.2742 -6.2734 -6.2724 1.3978 1.3978 1.5052 1.5164 1.5164 1.5328 1.6573 1.6573 2.9128 2.9310 2.9310 2.9452 3.0826 3.0826 3.0846 3.0849 3.1114 3.1114 3.2987 3.2987 3.4061 3.4061 3.4349 3.4431 4.1705 4.1705 4.3264 4.3700 4.3700 4.3889 4.3997 4.3997 4.4813 4.4978 4.4978 4.5127 4.7212 4.7246 4.7246 4.8113 4.8113 4.8290 4.9231 4.9231 5.0063 5.0072 5.0267 5.0267 6.4451 6.4451 6.4855 6.4955 6.5125 6.5125 8.7463 8.7891 8.7891 8.8454 9.2824 9.2824 9.4470 9.4470 9.4554 9.5405 10.5280 10.5280 10.6856 10.7183 k = 0.4490 0.4490 0.4490 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4544 -6.4544 -6.3674 -6.3674 -6.2762 -6.2762 -6.2757 -6.2748 1.3913 1.3913 1.5045 1.5121 1.5121 1.5276 1.6370 1.6370 2.9236 2.9387 2.9387 2.9507 3.0885 3.0885 3.0890 3.0890 3.1098 3.1098 3.3046 3.3046 3.4086 3.4086 3.4308 3.4374 4.1704 4.1704 4.3404 4.3739 4.3739 4.3977 4.3984 4.3984 4.4841 4.4962 4.4962 4.5089 4.7240 4.7280 4.7280 4.8048 4.8048 4.8198 4.9205 4.9205 4.9963 4.9991 5.0147 5.0147 6.4679 6.4679 6.5120 6.5208 6.5323 6.5323 8.7620 8.8013 8.8013 8.8508 9.2860 9.2860 9.4222 9.4222 9.4274 9.5029 10.5593 10.5593 10.6683 10.6951 k = 0.4592 0.4592 0.4592 ( 6434 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4462 -6.4462 -6.3703 -6.3703 -6.2779 -6.2779 -6.2776 -6.2769 1.3857 1.3857 1.5042 1.5095 1.5095 1.5228 1.6191 1.6191 2.9333 2.9453 2.9453 2.9550 3.0923 3.0925 3.0930 3.0930 3.1089 3.1089 3.3083 3.3083 3.4122 3.4122 3.4274 3.4325 4.1701 4.1701 4.3541 4.3768 4.3768 4.3978 4.3978 4.4041 4.4863 4.4948 4.4948 4.5046 4.7286 4.7326 4.7326 4.7972 4.7972 4.8095 4.9199 4.9199 4.9880 4.9917 5.0032 5.0032 6.4872 6.4872 6.5352 6.5424 6.5492 6.5492 8.7787 8.8131 8.8131 8.8549 9.2859 9.2859 9.4004 9.4004 9.4017 9.4661 10.5880 10.5880 10.6566 10.6774 k = 0.4694 0.4694 0.4694 ( 6431 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4395 -6.4395 -6.3727 -6.3727 -6.2791 -6.2791 -6.2790 -6.2785 1.3813 1.3813 1.5045 1.5083 1.5083 1.5184 1.6042 1.6042 2.9416 2.9505 2.9505 2.9580 3.0950 3.0951 3.0960 3.0960 3.1089 3.1089 3.3102 3.3102 3.4161 3.4161 3.4249 3.4286 4.1697 4.1697 4.3673 4.3787 4.3787 4.3979 4.3979 4.4078 4.4880 4.4937 4.4937 4.5005 4.7350 4.7385 4.7385 4.7886 4.7886 4.7984 4.9211 4.9211 4.9817 4.9855 4.9926 4.9926 6.5025 6.5025 6.5541 6.5598 6.5629 6.5629 8.7958 8.8240 8.8240 8.8568 9.2822 9.2822 9.3807 9.3839 9.3839 9.4322 10.6127 10.6127 10.6496 10.6645 k = 0.4796 0.4796 0.4796 ( 6458 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6527 -25.6527 -6.4345 -6.4345 -6.3747 -6.3747 -6.2800 -6.2800 -6.2800 -6.2796 1.3781 1.3781 1.5052 1.5081 1.5081 1.5145 1.5927 1.5927 2.9485 2.9543 2.9543 2.9594 3.0967 3.0969 3.0975 3.0975 3.1094 3.1094 3.3111 3.3111 3.4194 3.4194 3.4232 3.4256 4.1693 4.1693 4.3795 4.3796 4.3796 4.3984 4.3984 4.4082 4.4894 4.4928 4.4928 4.4968 4.7431 4.7453 4.7453 4.7796 4.7796 4.7867 4.9233 4.9233 4.9774 4.9805 4.9837 4.9837 6.5135 6.5135 6.5684 6.5723 6.5730 6.5730 8.8126 8.8329 8.8329 8.8555 9.2761 9.2761 9.3669 9.3735 9.3735 9.4030 10.6319 10.6319 10.6464 10.6559 k = 0.4898 0.4898 0.4898 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4315 -6.4315 -6.3759 -6.3759 -6.2806 -6.2805 -6.2805 -6.2804 1.3761 1.3761 1.5066 1.5084 1.5084 1.5112 1.5854 1.5854 2.9538 2.9566 2.9566 2.9592 3.0978 3.0979 3.0981 3.0981 3.1101 3.1101 3.3115 3.3115 3.4216 3.4216 3.4223 3.4235 4.1689 4.1689 4.3800 4.3800 4.3903 4.3988 4.3988 4.4052 4.4906 4.4922 4.4922 4.4940 4.7527 4.7528 4.7528 4.7706 4.7706 4.7749 4.9255 4.9255 4.9753 4.9770 4.9775 4.9775 6.5201 6.5201 6.5776 6.5792 6.5792 6.5795 8.8280 8.8388 8.8388 8.8502 9.2705 9.2705 9.3619 9.3681 9.3681 9.3806 10.6440 10.6440 10.6466 10.6509 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4305 -6.4305 -6.3763 -6.3763 -6.2807 -6.2807 -6.2807 -6.2807 1.3755 1.3755 1.5086 1.5086 1.5086 1.5086 1.5829 1.5829 2.9574 2.9574 2.9574 2.9574 3.0982 3.0982 3.0982 3.0982 3.1104 3.1104 3.3116 3.3116 3.4224 3.4224 3.4224 3.4224 4.1689 4.1689 4.3802 4.3802 4.3991 4.3991 4.3991 4.3991 4.4920 4.4920 4.4920 4.4920 4.7595 4.7595 4.7634 4.7634 4.7634 4.7634 4.9265 4.9265 4.9752 4.9752 4.9752 4.9752 6.5223 6.5223 6.5813 6.5813 6.5813 6.5813 8.8409 8.8409 8.8409 8.8409 9.2683 9.2683 9.3665 9.3665 9.3665 9.3665 10.6479 10.6479 10.6496 10.6496 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4305 -6.4305 -6.3763 -6.3763 -6.2807 -6.2807 -6.2807 -6.2807 1.3755 1.3755 1.5086 1.5086 1.5086 1.5086 1.5829 1.5829 2.9574 2.9574 2.9574 2.9574 3.0982 3.0982 3.0982 3.0982 3.1104 3.1104 3.3116 3.3116 3.4224 3.4224 3.4224 3.4224 4.1689 4.1689 4.3802 4.3802 4.3991 4.3991 4.3991 4.3991 4.4920 4.4920 4.4920 4.4920 4.7595 4.7595 4.7634 4.7634 4.7634 4.7634 4.9265 4.9265 4.9752 4.9752 4.9752 4.9752 6.5223 6.5223 6.5813 6.5813 6.5813 6.5813 8.8409 8.8409 8.8409 8.8409 9.2683 9.2683 9.3665 9.3665 9.3665 9.3665 10.6479 10.6479 10.6496 10.6496 k = 0.4875 0.5000 0.4875 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4315 -6.4315 -6.3759 -6.3759 -6.2807 -6.2806 -6.2805 -6.2803 1.3761 1.3761 1.5066 1.5079 1.5090 1.5112 1.5854 1.5854 2.9539 2.9559 2.9573 2.9591 3.0976 3.0977 3.0982 3.0983 3.1100 3.1102 3.3114 3.3115 3.4215 3.4219 3.4223 3.4234 4.1689 4.1689 4.3800 4.3800 4.3906 4.3968 4.4007 4.4051 4.4906 4.4918 4.4926 4.4940 4.7505 4.7538 4.7544 4.7686 4.7720 4.7751 4.9254 4.9255 4.9752 4.9767 4.9774 4.9779 6.5201 6.5201 6.5775 6.5790 6.5790 6.5799 8.8282 8.8361 8.8415 8.8500 9.2704 9.2707 9.3619 9.3661 9.3705 9.3802 10.6428 10.6466 10.6475 10.6483 k = 0.4750 0.5000 0.4750 ( 6466 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6527 -25.6527 -6.4346 -6.4344 -6.3749 -6.3745 -6.2806 -6.2801 -6.2796 -6.2794 1.3780 1.3781 1.5048 1.5076 1.5091 1.5145 1.5926 1.5928 2.9487 2.9529 2.9557 2.9593 3.0954 3.0962 3.0980 3.0987 3.1090 3.1101 3.3108 3.3115 3.4190 3.4203 3.4230 3.4252 4.1692 4.1693 4.3790 4.3796 4.3808 4.3943 4.4013 4.4087 4.4892 4.4922 4.4933 4.4970 4.7395 4.7470 4.7477 4.7759 4.7826 4.7870 4.9230 4.9237 4.9771 4.9798 4.9840 4.9844 6.5133 6.5134 6.5679 6.5711 6.5730 6.5747 8.8120 8.8284 8.8374 8.8560 9.2751 9.2778 9.3660 9.3710 9.3769 9.4023 10.6303 10.6400 10.6458 10.6481 k = 0.4625 0.5000 0.4625 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4396 -6.4391 -6.3734 -6.3723 -6.2805 -6.2794 -6.2781 -6.2778 1.3811 1.3815 1.5032 1.5081 1.5095 1.5188 1.6038 1.6044 2.9420 2.9485 2.9525 2.9578 3.0914 3.0936 3.0970 3.0991 3.1076 3.1110 3.3092 3.3115 3.4148 3.4181 3.4246 3.4277 4.1696 4.1698 4.3678 4.3788 4.3793 4.3919 4.4000 4.4107 4.4877 4.4929 4.4940 4.5009 4.7292 4.7406 4.7427 4.7832 4.7939 4.7984 4.9204 4.9221 4.9808 4.9843 4.9933 4.9937 6.5019 6.5022 6.5530 6.5577 6.5636 6.5661 8.7933 8.8187 8.8290 8.8595 9.2795 9.2888 9.3760 9.3847 9.3847 9.4316 10.6128 10.6259 10.6466 10.6496 k = 0.4500 0.5000 0.4500 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4462 -6.4453 -6.3719 -6.3693 -6.2805 -6.2782 -6.2759 -6.2756 1.3852 1.3862 1.5022 1.5097 1.5106 1.5240 1.6183 1.6196 2.9338 2.9427 2.9480 2.9548 3.0854 3.0896 3.0950 3.0984 3.1070 3.1130 3.3059 3.3113 3.4090 3.4158 3.4271 3.4310 4.1699 4.1702 4.3548 4.3773 4.3778 4.3898 4.3962 4.4122 4.4857 4.4938 4.4946 4.5053 4.7199 4.7343 4.7395 4.7903 4.8055 4.8089 4.9184 4.9216 4.9865 4.9902 5.0033 5.0052 6.4855 6.4862 6.5333 6.5396 6.5511 6.5543 8.7732 8.8078 8.8175 8.8607 9.2816 9.3028 9.3901 9.3931 9.4076 9.4662 10.5921 10.6074 10.6488 10.6522 k = 0.4375 0.5000 0.4375 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4543 -6.4529 -6.3704 -6.3658 -6.2807 -6.2766 -6.2731 -6.2729 1.3904 1.3921 1.5021 1.5125 1.5127 1.5303 1.6355 1.6379 2.9244 2.9357 2.9421 2.9505 3.0777 3.0841 3.0921 3.0962 3.1081 3.1159 3.3003 3.3108 3.4020 3.4143 3.4306 3.4351 4.1702 4.1707 4.3411 4.3751 4.3753 4.3886 4.3899 4.4140 4.4836 4.4948 4.4954 4.5098 4.7117 4.7286 4.7380 4.7972 4.8165 4.8188 4.9178 4.9226 4.9945 4.9974 5.0139 5.0180 6.4644 6.4655 6.5097 6.5174 6.5358 6.5397 8.7530 8.7959 8.8043 8.8599 9.2809 9.3190 9.4012 9.4082 9.4361 9.5040 10.5703 10.5864 10.6527 10.6562 k = 0.4250 0.5000 0.4250 ( 6460 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6527 -25.6527 -6.4636 -6.4616 -6.3691 -6.3619 -6.2811 -6.2746 -6.2696 -6.2695 1.3964 1.3991 1.5031 1.5161 1.5164 1.5376 1.6550 1.6586 2.9140 2.9276 2.9351 2.9451 3.0686 3.0770 3.0881 3.0930 3.1103 3.1196 3.2919 3.3094 3.3943 3.4141 3.4351 3.4399 4.1701 4.1709 4.3274 4.3718 4.3719 4.3819 4.3883 4.4160 4.4813 4.4958 4.4961 4.5138 4.7048 4.7234 4.7383 4.8038 4.8245 4.8302 4.9186 4.9253 5.0046 5.0058 5.0244 5.0313 6.4388 6.4402 6.4831 6.4918 6.5181 6.5226 8.7335 8.7835 8.7909 8.8574 9.2775 9.3362 9.4085 9.4292 9.4667 9.5428 10.5490 10.5648 10.6587 10.6622 k = 0.4125 0.5000 0.4125 ( 6452 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6526 -25.6526 -6.4739 -6.4715 -6.3682 -6.3577 -6.2817 -6.2720 -6.2655 -6.2655 1.4031 1.4069 1.5053 1.5206 1.5215 1.5462 1.6765 1.6817 2.9026 2.9187 2.9272 2.9387 3.0585 3.0687 3.0834 3.0891 3.1133 3.1238 3.2805 3.3062 3.3869 3.4156 3.4405 3.4455 4.1697 4.1707 4.3140 4.3672 4.3678 4.3737 4.3887 4.4184 4.4789 4.4968 4.4969 4.5173 4.6995 4.7188 4.7402 4.8099 4.8306 4.8419 4.9207 4.9297 5.0155 5.0166 5.0344 5.0451 6.4094 6.4110 6.4543 6.4637 6.4981 6.5031 8.7154 8.7708 8.7779 8.8533 9.2713 9.3529 9.4143 9.4519 9.4968 9.5808 10.5298 10.5443 10.6675 10.6708 k = 0.4000 0.5000 0.4000 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6525 -25.6525 -6.4852 -6.4824 -6.3676 -6.3533 -6.2825 -6.2690 -6.2608 -6.2608 1.4105 1.4152 1.5090 1.5262 1.5279 1.5559 1.6994 1.7066 2.8906 2.9090 2.9185 2.9316 3.0475 3.0592 3.0779 3.0849 3.1167 3.1283 3.2662 3.3004 3.3809 3.4188 3.4468 3.4519 4.1687 4.1698 4.3013 4.3595 4.3635 4.3674 4.3895 4.4211 4.4766 4.4977 4.4978 4.5201 4.6957 4.7149 4.7435 4.8156 4.8355 4.8532 4.9238 4.9354 5.0262 5.0299 5.0438 5.0594 6.3771 6.3786 6.4239 6.4335 6.4758 6.4812 8.6990 8.7580 8.7660 8.8480 9.2621 9.3671 9.4187 9.4748 9.5243 9.6161 10.5139 10.5265 10.6800 10.6827 k = 0.3875 0.5000 0.3875 ( 6446 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6525 -25.6525 -6.4973 -6.4941 -6.3675 -6.3489 -6.2833 -6.2654 -6.2556 -6.2554 1.4182 1.4234 1.5144 1.5328 1.5354 1.5670 1.7236 1.7330 2.8780 2.8986 2.9091 2.9239 3.0359 3.0488 3.0719 3.0804 3.1204 3.1332 3.2494 3.2909 3.3772 3.4235 3.4540 3.4590 4.1669 4.1678 4.2896 4.3498 4.3591 4.3624 4.3905 4.4238 4.4743 4.4985 4.4986 4.5221 4.6935 4.7119 4.7480 4.8208 4.8396 4.8637 4.9276 4.9423 5.0374 5.0430 5.0523 5.0746 6.3429 6.3441 6.3922 6.4017 6.4513 6.4570 8.6846 8.7453 8.7555 8.8418 9.2498 9.3762 9.4224 9.4962 9.5478 9.6476 10.5022 10.5125 10.6968 10.6988 k = 0.3750 0.5000 0.3750 ( 6450 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6525 -25.6525 -6.5101 -6.5067 -6.3680 -6.3446 -6.2839 -6.2613 -6.2497 -6.2495 1.4261 1.4311 1.5219 1.5403 1.5442 1.5794 1.7487 1.7606 2.8650 2.8877 2.8992 2.9157 3.0240 3.0377 3.0656 3.0756 3.1244 3.1384 3.2305 3.2776 3.3763 3.4297 3.4621 3.4667 4.1640 4.1644 4.2795 4.3402 4.3547 4.3577 4.3915 4.4266 4.4722 4.4992 4.4993 4.5234 4.6929 4.7098 4.7535 4.8255 4.8433 4.8732 4.9321 4.9499 5.0481 5.0546 5.0610 5.0916 6.3077 6.3086 6.3598 6.3689 6.4247 6.4306 8.6721 8.7329 8.7466 8.8348 9.2341 9.3774 9.4266 9.5145 9.5665 9.6744 10.4953 10.5032 10.7188 10.7199 k = 0.3625 0.5000 0.3625 ( 6450 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6524 -25.6524 -6.5235 -6.5200 -6.3690 -6.3409 -6.2841 -6.2566 -6.2433 -6.2431 1.4339 1.4376 1.5318 1.5487 1.5540 1.5931 1.7742 1.7890 2.8519 2.8765 2.8890 2.9072 3.0120 3.0260 3.0593 3.0709 3.1286 3.1439 3.2101 3.2610 3.3778 3.4370 3.4708 3.4749 4.1595 4.1599 4.2711 4.3311 4.3505 4.3532 4.3924 4.4294 4.4705 4.4997 4.4999 4.5241 4.6941 4.7087 4.7599 4.8297 4.8470 4.8814 4.9373 4.9578 5.0555 5.0635 5.0722 5.1107 6.2725 6.2729 6.3270 6.3354 6.3961 6.4020 8.6616 8.7209 8.7391 8.8273 9.2152 9.3700 9.4305 9.5283 9.5805 9.6959 10.4935 10.4994 10.7468 10.7468 k = 0.3500 0.5000 0.3500 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6523 -25.6523 -6.5375 -6.5339 -6.3705 -6.3380 -6.2835 -6.2514 -6.2364 -6.2362 1.4413 1.4426 1.5440 1.5579 1.5649 1.6078 1.8000 1.8179 2.8387 2.8652 2.8786 2.8986 3.0000 3.0139 3.0533 3.0660 3.1330 3.1495 3.1889 3.2418 3.3814 3.4454 3.4802 3.4838 4.1529 4.1545 4.2646 4.3230 4.3464 4.3489 4.3931 4.4321 4.4691 4.5002 4.5003 4.5242 4.6969 4.7088 4.7672 4.8332 4.8508 4.8882 4.9432 4.9657 5.0588 5.0694 5.0865 5.1318 6.2379 6.2379 6.2941 6.3017 6.3657 6.3714 8.6529 8.7096 8.7329 8.8195 9.1933 9.3552 9.4322 9.5364 9.5898 9.7118 10.4970 10.5012 10.7801 10.7812 k = 0.3375 0.5000 0.3375 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6526 -25.6526 -25.6523 -25.6523 -6.5519 -6.5483 -6.3726 -6.3365 -6.2817 -6.2456 -6.2290 -6.2288 1.4460 1.4481 1.5584 1.5679 1.5766 1.6236 1.8255 1.8468 2.8256 2.8539 2.8681 2.8898 2.9883 3.0015 3.0478 3.0608 3.1374 3.1554 3.1680 3.2207 3.3864 3.4547 3.4903 3.4930 4.1448 4.1478 4.2598 4.3160 4.3425 4.3451 4.3934 4.4345 4.4683 4.5004 4.5006 4.5237 4.7014 4.7100 4.7752 4.8362 4.8547 4.8933 4.9496 4.9731 5.0590 5.0723 5.1027 5.1542 6.2039 6.2046 6.2615 6.2682 6.3337 6.3391 8.6460 8.6990 8.7276 8.8115 9.1690 9.3343 9.4301 9.5379 9.5950 9.7224 10.5055 10.5086 10.8200 10.8223 k = 0.3250 0.5000 0.3250 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6526 -25.6526 -25.6522 -25.6522 -6.5667 -6.5631 -6.3753 -6.3365 -6.2784 -6.2394 -6.2211 -6.2209 1.4478 1.4538 1.5747 1.5788 1.5892 1.6402 1.8505 1.8752 2.8127 2.8428 2.8576 2.8812 2.9770 2.9890 3.0432 3.0546 3.1399 3.1505 3.1613 3.1984 3.3927 3.4649 3.5009 3.5027 4.1355 4.1398 4.2565 4.3100 4.3388 4.3420 4.3931 4.4367 4.4682 4.5006 4.5007 4.5227 4.7073 4.7124 4.7840 4.8387 4.8588 4.8968 4.9566 4.9795 5.0569 5.0722 5.1202 5.1776 6.1713 6.1728 6.2296 6.2353 6.3006 6.3055 8.6407 8.6892 8.7227 8.8037 9.1430 9.3083 9.4235 9.5329 9.5961 9.7278 10.5186 10.5212 10.8666 10.8700 k = 0.3125 0.5000 0.3125 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6525 -25.6525 -25.6521 -25.6521 -6.5817 -6.5782 -6.3784 -6.3380 -6.2736 -6.2327 -6.2128 -6.2127 1.4480 1.4584 1.5906 1.5923 1.6025 1.6574 1.8747 1.9029 2.8002 2.8320 2.8473 2.8726 2.9661 2.9766 3.0396 3.0461 3.1291 3.1497 3.1669 3.1761 3.4000 3.4759 3.5120 3.5128 4.1254 4.1306 4.2542 4.3047 4.3352 4.3397 4.3921 4.4386 4.4689 4.5005 4.5007 4.5213 4.7145 4.7160 4.7934 4.8405 4.8631 4.8989 4.9640 4.9847 5.0528 5.0692 5.1386 5.2016 6.1399 6.1424 6.1987 6.2031 6.2670 6.2713 8.6366 8.6805 8.7170 8.7966 9.1163 9.2781 9.4122 9.5217 9.5935 9.7284 10.5359 10.5386 10.9197 10.9239 k = 0.3000 0.5000 0.3000 ( 6436 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6525 -25.6525 -25.6520 -25.6520 -6.5970 -6.5936 -6.3820 -6.3410 -6.2676 -6.2256 -6.2043 -6.2042 1.4469 1.4615 1.6030 1.6104 1.6168 1.6750 1.8977 1.9294 2.7883 2.8218 2.8372 2.8643 2.9557 2.9643 3.0338 3.0369 3.1180 3.1520 3.1546 3.1744 3.4083 3.4877 3.5232 3.5237 4.1149 4.1207 4.2526 4.3001 4.3317 4.3385 4.3903 4.4402 4.4703 4.5003 4.5006 4.5194 4.7207 4.7227 4.8032 4.8421 4.8675 4.8997 4.9716 4.9878 5.0477 5.0637 5.1578 5.2259 6.1092 6.1128 6.1691 6.1720 6.2340 6.2374 8.6332 8.6733 8.7093 8.7910 9.0900 9.2446 9.3965 9.5051 9.5873 9.7250 10.5566 10.5599 10.9787 10.9834 k = 0.2875 0.5000 0.2875 ( 6428 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6525 -25.6525 -25.6520 -25.6520 -6.6123 -6.6091 -6.3860 -6.3449 -6.2605 -6.2181 -6.1954 -6.1954 1.4445 1.4630 1.6161 1.6273 1.6334 1.6926 1.9193 1.9542 2.7770 2.8123 2.8275 2.8563 2.9459 2.9523 3.0174 3.0348 3.1126 3.1306 3.1601 3.1806 3.4174 3.5003 3.5340 3.5359 4.1044 4.1101 4.2514 4.2958 4.3283 4.3383 4.3877 4.4413 4.4727 4.5000 4.5005 4.5174 4.7264 4.7317 4.8128 4.8437 4.8720 4.8996 4.9794 4.9880 5.0429 5.0558 5.1776 5.2504 6.0781 6.0830 6.1408 6.1424 6.2027 6.2052 8.6297 8.6679 8.6978 8.7881 9.0654 9.2089 9.3766 9.4836 9.5780 9.7179 10.5801 10.5845 11.0429 11.0477 k = 0.2750 0.5000 0.2750 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6524 -25.6524 -25.6519 -25.6519 -6.6277 -6.6247 -6.3903 -6.3498 -6.2526 -6.2104 -6.1864 -6.1863 1.4408 1.4629 1.6297 1.6422 1.6523 1.7101 1.9393 1.9773 2.7665 2.8037 2.8183 2.8487 2.9365 2.9405 2.9979 3.0318 3.1120 3.1124 3.1659 3.1871 3.4274 3.5137 3.5450 3.5486 4.0939 4.0992 4.2505 4.2917 4.3251 4.3391 4.3844 4.4420 4.4757 4.4995 4.5003 4.5152 4.7327 4.7410 4.8206 4.8466 4.8759 4.8991 4.9840 4.9872 5.0401 5.0461 5.1980 5.2749 6.0453 6.0512 6.1143 6.1148 6.1747 6.1761 8.6252 8.6650 8.6815 8.7883 9.0434 9.1721 9.3530 9.4580 9.5659 9.7079 10.6056 10.6116 11.1114 11.1159 k = 0.2625 0.5000 0.2625 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6524 -25.6524 -25.6518 -25.6518 -6.6430 -6.6402 -6.3949 -6.3552 -6.2442 -6.2025 -6.1772 -6.1770 1.4360 1.4610 1.6435 1.6565 1.6717 1.7272 1.9575 1.9981 2.7569 2.7961 2.8097 2.8415 2.9278 2.9289 2.9772 3.0254 3.0994 3.1162 3.1719 3.1936 3.4383 3.5278 3.5563 3.5618 4.0837 4.0881 4.2496 4.2877 4.3217 4.3407 4.3804 4.4420 4.4794 4.4988 4.5001 4.5129 4.7394 4.7504 4.8246 4.8525 4.8786 4.8991 4.9756 4.9943 5.0356 5.0404 5.2185 5.2992 6.0097 6.0157 6.0894 6.0896 6.1512 6.1516 8.6188 8.6598 8.6651 8.7916 9.0250 9.1351 9.3263 9.4290 9.5517 9.6954 10.6324 10.6402 11.1833 11.1870 k = 0.2500 0.5000 0.2500 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6524 -25.6524 -25.6517 -25.6517 -6.6581 -6.6556 -6.3996 -6.3611 -6.2354 -6.1944 -6.1679 -6.1677 1.4300 1.4575 1.6574 1.6703 1.6911 1.7436 1.9739 2.0168 2.7483 2.7896 2.8017 2.8349 2.9174 2.9196 2.9567 3.0133 3.0953 3.1229 3.1782 3.2003 3.4502 3.5428 3.5680 3.5756 4.0740 4.0770 4.2487 4.2840 4.3185 4.3431 4.3758 4.4414 4.4837 4.4980 4.5001 4.5110 4.7461 4.7595 4.8247 4.8612 4.8788 4.9010 4.9639 4.9985 5.0272 5.0438 5.2393 5.3232 5.9708 5.9761 6.0667 6.0671 6.1323 6.1327 8.6101 8.6334 8.6677 8.7976 9.0106 9.0993 9.2971 9.3971 9.5357 9.6809 10.6598 10.6697 11.2576 11.2599 k = 0.2375 0.5000 0.2375 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6524 -25.6524 -25.6517 -25.6517 -6.6731 -6.6707 -6.4045 -6.3673 -6.2262 -6.1863 -6.1586 -6.1582 1.4229 1.4523 1.6712 1.6836 1.7098 1.7592 1.9885 2.0331 2.7409 2.7841 2.7943 2.8288 2.9055 2.9118 2.9378 2.9966 3.0988 3.1318 3.1846 3.2069 3.4630 3.5586 3.5800 3.5899 4.0648 4.0661 4.2477 4.2803 4.3153 4.3457 4.3709 4.4400 4.4884 4.4970 4.5001 4.5093 4.7520 4.7675 4.8228 4.8700 4.8764 4.9051 4.9509 4.9942 5.0271 5.0497 5.2601 5.3467 5.9288 5.9329 6.0460 6.0470 6.1176 6.1186 8.5989 8.6028 8.6726 8.8058 9.0003 9.0658 9.2660 9.3630 9.5185 9.6648 10.6870 10.6993 11.3335 11.3337 k = 0.2250 0.5000 0.2250 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6523 -25.6523 -25.6516 -25.6516 -6.6877 -6.6856 -6.4095 -6.3737 -6.2170 -6.1781 -6.1492 -6.1488 1.4148 1.4455 1.6845 1.6963 1.7277 1.7737 2.0013 2.0471 2.7347 2.7800 2.7877 2.8233 2.8926 2.9046 2.9218 2.9776 3.1073 3.1423 3.1913 3.2135 3.4768 3.5752 3.5923 3.6049 4.0555 4.0562 4.2464 4.2770 4.3122 4.3487 4.3657 4.4378 4.4932 4.4959 4.5004 4.5082 4.7567 4.7730 4.8210 4.8725 4.8762 4.9105 4.9390 4.9833 5.0344 5.0579 5.2808 5.3695 5.8844 5.8868 6.0278 6.0295 6.1071 6.1084 8.5692 8.5850 8.6791 8.8157 8.9937 9.0358 9.2334 9.3274 9.5003 9.6476 10.7133 10.7282 11.4074 11.4099 k = 0.2125 0.5000 0.2125 ( 6430 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6515 -25.6515 -6.7020 -6.7001 -6.4145 -6.3803 -6.2076 -6.1700 -6.1399 -6.1395 1.4059 1.4373 1.6973 1.7083 1.7447 1.7871 2.0123 2.0588 2.7297 2.7770 2.7817 2.8185 2.8788 2.8979 2.9092 2.9582 3.1189 3.1540 3.1981 3.2201 3.4918 3.5924 3.6051 3.6205 4.0453 4.0482 4.2450 4.2738 4.3093 4.3518 4.3604 4.4349 4.4940 4.4988 4.5009 4.5076 4.7595 4.7738 4.8220 4.8679 4.8759 4.9165 4.9322 4.9712 5.0446 5.0682 5.3014 5.3914 5.8384 5.8388 6.0120 6.0145 6.0998 6.1012 8.5336 8.5680 8.6869 8.8269 8.9905 9.0104 9.2000 9.2908 9.4815 9.6294 10.7381 10.7556 11.4798 11.4858 k = 0.2000 0.5000 0.2000 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6515 -25.6515 -6.7159 -6.7142 -6.4195 -6.3869 -6.1982 -6.1621 -6.1308 -6.1303 1.3961 1.4278 1.7093 1.7193 1.7604 1.7992 2.0218 2.0683 2.7259 2.7753 2.7762 2.8142 2.8648 2.8918 2.8994 2.9394 3.1324 3.1663 3.2050 3.2266 3.5078 3.6099 3.6186 3.6367 4.0354 4.0407 4.2432 4.2709 4.3067 4.3546 4.3553 4.4312 4.4923 4.5017 4.5039 4.5076 4.7596 4.7686 4.8271 4.8627 4.8669 4.9217 4.9328 4.9609 5.0563 5.0802 5.3215 5.4120 5.7896 5.7913 5.9989 6.0021 6.0952 6.0965 8.4968 8.5475 8.6957 8.8390 8.9900 8.9904 9.1662 9.2538 9.4622 9.6105 10.7608 10.7811 11.5500 11.5603 k = 0.1875 0.5000 0.1875 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6523 -25.6523 -25.6514 -25.6514 -6.7293 -6.7278 -6.4244 -6.3935 -6.1889 -6.1543 -6.1218 -6.1212 1.3857 1.4172 1.7204 1.7292 1.7749 1.8100 2.0297 2.0759 2.7232 2.7714 2.7748 2.8105 2.8519 2.8861 2.8916 2.9217 3.1468 3.1788 3.2121 3.2330 3.5248 3.6268 3.6339 3.6537 4.0260 4.0338 4.2410 4.2684 4.3046 4.3504 4.3573 4.4270 4.4901 4.5028 4.5081 4.5091 4.7568 4.7586 4.8356 4.8520 4.8567 4.9247 4.9385 4.9557 5.0690 5.0935 5.3410 5.4312 5.7396 5.7437 5.9886 5.9927 6.0924 6.0937 8.4596 8.5237 8.7053 8.8517 8.9763 8.9918 9.1326 9.2171 9.4429 9.5910 10.7809 10.8040 11.6167 11.6322 k = 0.1750 0.5000 0.1750 ( 6442 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6513 -25.6513 -6.7421 -6.7408 -6.4292 -6.4000 -6.1797 -6.1468 -6.1130 -6.1125 1.3749 1.4058 1.7304 1.7381 1.7881 1.8194 2.0363 2.0816 2.7215 2.7671 2.7754 2.8072 2.8409 2.8809 2.8853 2.9056 3.1616 3.1913 3.2193 3.2392 3.5429 3.6418 3.6519 3.6714 4.0170 4.0274 4.2386 4.2661 4.3032 4.3458 4.3595 4.4224 4.4875 4.5040 4.5091 4.5140 4.7454 4.7511 4.8338 4.8462 4.8489 4.9250 4.9464 4.9574 5.0823 5.1077 5.3596 5.4484 5.6895 5.6961 5.9814 5.9864 6.0913 6.0923 8.4229 8.4968 8.7154 8.8643 8.9679 8.9953 9.0998 9.1816 9.4235 9.5711 10.7979 10.8237 11.6787 11.7003 k = 0.1625 0.5000 0.1625 ( 6442 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6512 -25.6512 -6.7543 -6.7531 -6.4337 -6.4064 -6.1707 -6.1396 -6.1046 -6.1040 1.3638 1.3936 1.7392 1.7457 1.7999 1.8277 2.0417 2.0856 2.7208 2.7634 2.7771 2.8041 2.8322 2.8759 2.8801 2.8915 3.1763 3.2032 3.2265 3.2451 3.5618 3.6559 3.6714 3.6897 4.0085 4.0213 4.2361 4.2641 4.3025 4.3417 4.3613 4.4178 4.4844 4.5054 4.5104 4.5186 4.7303 4.7429 4.8143 4.8386 4.8578 4.9255 4.9555 4.9639 5.0962 5.1222 5.3768 5.4631 5.6397 5.6490 5.9774 5.9835 6.0912 6.0921 8.3872 8.4675 8.7257 8.8760 8.9650 9.0000 9.0681 9.1482 9.4044 9.5508 10.8115 10.8397 11.7344 11.7633 k = 0.1500 0.5000 0.1500 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6512 -25.6512 -6.7658 -6.7648 -6.4380 -6.4127 -6.1620 -6.1328 -6.0965 -6.0959 1.3525 1.3810 1.7468 1.7521 1.8105 1.8347 2.0459 2.0881 2.7210 2.7603 2.7796 2.8010 2.8260 2.8703 2.8759 2.8802 3.1903 3.2144 3.2338 3.2508 3.5814 3.6699 3.6917 3.7086 4.0003 4.0154 4.2336 4.2624 4.3026 4.3381 4.3626 4.4132 4.4806 4.5066 4.5119 4.5228 4.7141 4.7327 4.7937 4.8255 4.8703 4.9285 4.9652 4.9726 5.1102 5.1364 5.3922 5.4749 5.5908 5.6028 5.9768 5.9842 6.0920 6.0926 8.3530 8.4366 8.7359 8.8856 8.9668 9.0055 9.0383 9.1184 9.3856 9.5304 10.8214 10.8518 11.7817 11.8192 k = 0.1375 0.5000 0.1375 ( 6444 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6522 -25.6522 -25.6511 -25.6511 -6.7766 -6.7758 -6.4421 -6.4186 -6.1536 -6.1265 -6.0888 -6.0882 1.3414 1.3683 1.7531 1.7574 1.8197 1.8408 2.0493 2.0893 2.7218 2.7580 2.7829 2.7977 2.8221 2.8624 2.8726 2.8734 3.2035 3.2246 3.2412 3.2563 3.6014 3.6839 3.7121 3.7280 3.9925 4.0096 4.2315 4.2610 4.3035 4.3351 4.3634 4.4089 4.4762 4.5074 4.5138 4.5267 4.6975 4.7214 4.7726 4.8104 4.8836 4.9344 4.9757 4.9825 5.1241 5.1499 5.4053 5.4827 5.5438 5.5579 5.9798 5.9883 6.0934 6.0939 8.3208 8.4049 8.7454 8.8914 8.9725 9.0111 9.0112 9.0941 9.3674 9.5098 10.8275 10.8597 11.8168 11.8633 k = 0.1250 0.5000 0.1250 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6521 -25.6521 -25.6510 -25.6510 -6.7866 -6.7859 -6.4458 -6.4244 -6.1456 -6.1206 -6.0816 -6.0810 1.3306 1.3556 1.7582 1.7616 1.8278 1.8459 2.0518 2.0892 2.7233 2.7565 2.7867 2.7945 2.8199 2.8537 2.8697 2.8701 3.2157 3.2337 3.2485 3.2613 3.6216 3.6978 3.7326 3.7476 3.9850 4.0037 4.2303 4.2599 4.3052 4.3326 4.3638 4.4051 4.4710 4.5072 4.5162 4.5300 4.6811 4.7095 4.7510 4.7937 4.8975 4.9427 4.9867 4.9932 5.1376 5.1624 5.4154 5.4797 5.5058 5.5151 5.9862 5.9958 6.0952 6.0955 8.2909 8.3733 8.7536 8.8911 8.9811 8.9878 9.0170 9.0773 9.3500 9.4890 10.8299 10.8633 11.8318 11.8752 k = 0.1125 0.5000 0.1125 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6521 -25.6521 -25.6510 -25.6510 -6.7958 -6.7953 -6.4492 -6.4298 -6.1381 -6.1152 -6.0748 -6.0743 1.3202 1.3431 1.7622 1.7648 1.8347 1.8502 2.0536 2.0882 2.7252 2.7558 2.7908 2.7916 2.8190 2.8456 2.8674 2.8684 3.2268 3.2417 3.2556 3.2660 3.6417 3.7114 3.7528 3.7673 3.9778 3.9975 4.2300 4.2591 4.3076 4.3309 4.3638 4.4016 4.4649 4.5054 4.5192 4.5329 4.6655 4.6975 4.7293 4.7760 4.9120 4.9527 4.9981 5.0043 5.1503 5.1734 5.4215 5.4453 5.4756 5.4978 5.9957 6.0062 6.0974 6.0975 8.2636 8.3422 8.7596 8.8833 8.9679 8.9932 9.0229 9.0689 9.3336 9.4683 10.8288 10.8626 11.8205 11.8423 k = 0.1000 0.5000 0.1000 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2902 -34.2902 -25.6521 -25.6521 -25.6509 -25.6509 -6.8042 -6.8037 -6.4521 -6.4348 -6.1310 -6.1105 -6.0687 -6.0682 1.3105 1.3312 1.7653 1.7671 1.8407 1.8537 2.0550 2.0865 2.7275 2.7559 2.7892 2.7951 2.8188 2.8385 2.8659 2.8673 3.2368 3.2487 3.2623 3.2702 3.6615 3.7247 3.7726 3.7867 3.9709 3.9910 4.2311 4.2586 4.3107 4.3299 4.3637 4.3984 4.4581 4.5017 4.5229 4.5355 4.6516 4.6857 4.7077 4.7577 4.9271 4.9642 5.0099 5.0159 5.1621 5.1829 5.4041 5.4164 5.4469 5.4958 6.0079 6.0188 6.0996 6.0997 8.2391 8.3125 8.7628 8.8687 8.9543 9.0065 9.0290 9.0678 9.3186 9.4475 10.8247 10.8580 11.7923 11.8001 k = 0.0875 0.5000 0.0875 ( 6446 PWs) bands (ev): -61.3594 -61.3594 -34.2902 -34.2902 -25.6521 -25.6521 -25.6509 -25.6509 -6.8117 -6.8113 -6.4547 -6.4395 -6.1245 -6.1063 -6.0632 -6.0627 1.3017 1.3200 1.7674 1.7687 1.8457 1.8566 2.0560 2.0841 2.7301 2.7563 2.7876 2.7992 2.8190 2.8324 2.8650 2.8667 3.2455 3.2547 3.2682 3.2739 3.6807 3.7372 3.7916 3.8055 3.9642 3.9839 4.2337 4.2584 4.3144 4.3298 4.3635 4.3954 4.4507 4.4956 4.5272 4.5378 4.6397 4.6745 4.6866 4.7389 4.9426 4.9766 5.0216 5.0277 5.1724 5.1907 5.3648 5.3894 5.4404 5.4922 6.0219 6.0328 6.1019 6.1022 8.2177 8.2845 8.7626 8.8500 8.9467 9.0209 9.0344 9.0719 9.3052 9.4268 10.8181 10.8500 11.7595 11.7599 k = 0.0750 0.5000 0.0750 ( 6454 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6509 -25.6509 -6.8182 -6.8179 -6.4568 -6.4437 -6.1186 -6.1029 -6.0583 -6.0579 1.2938 1.3097 1.7688 1.7698 1.8499 1.8589 2.0569 2.0813 2.7329 2.7568 2.7868 2.8031 2.8192 2.8271 2.8646 2.8666 3.2532 3.2600 3.2734 3.2771 3.6990 3.7487 3.8097 3.8233 3.9577 3.9762 4.2374 4.2585 4.3187 4.3309 4.3633 4.3923 4.4428 4.4871 4.5321 4.5398 4.6304 4.6641 4.6666 4.7199 4.9586 4.9897 5.0329 5.0395 5.1808 5.1966 5.3288 5.3575 5.4397 5.4867 6.0368 6.0470 6.1043 6.1049 8.1996 8.2587 8.7594 8.8295 8.9453 9.0360 9.0375 9.0794 9.2940 9.4064 10.8101 10.8395 11.7245 11.7278 k = 0.0625 0.5000 0.0625 ( 6462 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6509 -25.6509 -6.8238 -6.8235 -6.4585 -6.4475 -6.1133 -6.1001 -6.0541 -6.0538 1.2871 1.3005 1.7697 1.7704 1.8534 1.8606 2.0576 2.0782 2.7358 2.7571 2.7871 2.8066 2.8194 2.8223 2.8647 2.8668 3.2596 3.2645 3.2776 3.2798 3.7160 3.7587 3.8266 3.8397 3.9515 3.9679 4.2421 4.2588 4.3237 4.3333 4.3633 4.3889 4.4349 4.4762 4.5376 4.5418 4.6238 4.6485 4.6547 4.7009 4.9752 5.0031 5.0431 5.0507 5.1866 5.2003 5.2975 5.3279 5.4391 5.4797 6.0514 6.0603 6.1070 6.1079 8.1849 8.2354 8.7542 8.8093 8.9490 9.0378 9.0510 9.0885 9.2855 9.3862 10.8014 10.8275 11.6947 11.6996 k = 0.0500 0.5000 0.0500 ( 6470 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6509 -25.6509 -6.8283 -6.8282 -6.4597 -6.4509 -6.1087 -6.0980 -6.0506 -6.0503 1.2818 1.2925 1.7702 1.7707 1.8562 1.8618 2.0585 2.0751 2.7388 2.7568 2.7885 2.8095 2.8181 2.8195 2.8652 2.8672 3.2650 3.2683 3.2810 3.2820 3.7316 3.7669 3.8423 3.8544 3.9455 3.9593 4.2472 4.2593 4.3293 4.3373 4.3633 4.3850 4.4273 4.4635 4.5435 4.5438 4.6194 4.6333 4.6463 4.6822 4.9922 5.0164 5.0516 5.0607 5.1886 5.2015 5.2729 5.3021 5.4383 5.4717 6.0646 6.0717 6.1099 6.1112 8.1737 8.2149 8.7486 8.7906 8.9565 9.0352 9.0654 9.0975 9.2803 9.3666 10.7932 10.8150 11.6707 11.6759 k = 0.0375 0.5000 0.0375 ( 6474 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8319 -6.8318 -6.4604 -6.4538 -6.1047 -6.0967 -6.0478 -6.0476 1.2778 1.2858 1.7705 1.7708 1.8585 1.8626 2.0595 2.0721 2.7418 2.7558 2.7909 2.8110 2.8150 2.8194 2.8658 2.8675 3.2693 3.2713 3.2834 3.2838 3.7454 3.7726 3.8564 3.8669 3.9401 3.9505 4.2520 4.2598 4.3360 4.3426 4.3633 4.3805 4.4207 4.4498 4.5461 4.5492 4.6160 4.6231 4.6390 4.6643 5.0095 5.0290 5.0578 5.0682 5.1860 5.1998 5.2571 5.2812 5.4378 5.4635 6.0752 6.0802 6.1133 6.1149 8.1661 8.1975 8.7438 8.7743 8.9665 9.0299 9.0787 9.1046 9.2790 9.3477 10.7863 10.8033 11.6527 11.6572 k = 0.0250 0.5000 0.0250 ( 6468 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8345 -6.8344 -6.4605 -6.4561 -6.1015 -6.0961 -6.0459 -6.0457 1.2752 1.2806 1.7706 1.7707 1.8603 1.8630 2.0608 2.0692 2.7447 2.7543 2.7940 2.8088 2.8153 2.8191 2.8664 2.8677 3.2724 3.2735 3.2850 3.2851 3.7570 3.7756 3.8686 3.8765 3.9354 3.9422 4.2558 4.2603 4.3434 4.3492 4.3628 4.3754 4.4160 4.4364 4.5486 4.5535 4.6125 4.6202 4.6328 4.6477 5.0268 5.0405 5.0610 5.0712 5.1810 5.1948 5.2501 5.2661 5.4383 5.4558 6.0827 6.0857 6.1168 6.1184 8.1622 8.1834 8.7410 8.7609 8.9780 9.0223 9.0903 9.1088 9.2819 9.3300 10.7816 10.7932 11.6402 11.6435 k = 0.0125 0.5000 0.0125 ( 6468 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8360 -6.8360 -6.4602 -6.4580 -6.0990 -6.0963 -6.0446 -6.0446 1.2742 1.2769 1.7706 1.7707 1.8616 1.8629 2.0624 2.0666 2.7474 2.7523 2.7976 2.8052 2.8166 2.8186 2.8670 2.8677 3.2743 3.2748 3.2858 3.2859 3.7661 3.7756 3.8779 3.8824 3.9323 3.9355 4.2584 4.2604 4.3505 4.3565 4.3608 4.3698 4.4143 4.4248 4.5514 4.5550 4.6135 4.6212 4.6275 4.6330 5.0433 5.0501 5.0608 5.0677 5.1785 5.1877 5.2488 5.2565 5.4402 5.4491 6.0871 6.0884 6.1197 6.1207 8.1620 8.1727 8.7410 8.7508 8.9900 9.0128 9.0996 9.1093 9.2891 9.3138 10.7797 10.7856 11.6333 11.6350 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.3595 -61.3595 -34.2903 -34.2903 -25.6521 -25.6521 -25.6508 -25.6508 -6.8365 -6.8365 -6.4594 -6.4594 -6.0973 -6.0973 -6.0442 -6.0442 1.2748 1.2748 1.7707 1.7707 1.8624 1.8624 2.0643 2.0643 2.7500 2.7500 2.8013 2.8013 2.8177 2.8177 2.8675 2.8675 3.2751 3.2751 3.2861 3.2861 3.7724 3.7724 3.8830 3.8830 3.9319 3.9319 4.2598 4.2598 4.3566 4.3566 4.3636 4.3636 4.4170 4.4170 4.5538 4.5538 4.6206 4.6206 4.6241 4.6241 5.0569 5.0569 5.0578 5.0578 5.1812 5.1812 5.2511 5.2511 5.4438 5.4438 6.0889 6.0889 6.1212 6.1212 8.1655 8.1655 8.7442 8.7442 9.0018 9.0018 9.1062 9.1062 9.2999 9.2999 10.7810 10.7810 11.6315 11.6315 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6527 -25.6527 -25.6514 -25.6514 -6.5842 -6.5842 -6.3669 -6.3669 -6.2888 -6.2888 -6.1972 -6.1972 1.5157 1.5157 1.7112 1.7112 1.7903 1.7903 2.3904 2.3904 2.6821 2.6821 2.8156 2.8156 2.8543 2.8543 2.8652 2.8652 2.9221 2.9221 3.2584 3.2584 3.3688 3.3688 3.4118 3.4118 4.0526 4.0526 4.3281 4.3281 4.3303 4.3303 4.4041 4.4041 4.5008 4.5008 4.5270 4.5270 4.5938 4.5938 4.9447 4.9447 5.0110 5.0110 5.0331 5.0331 5.0596 5.0596 5.1391 5.1391 5.7352 5.7352 5.7628 5.7628 6.3688 6.3688 8.6427 8.6427 8.8427 8.8427 9.0471 9.0471 9.4769 9.4769 9.5417 9.5417 11.2647 11.2647 11.2805 11.2805 k = 0.5000 0.5000 0.0179 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5838 -6.5838 -6.3669 -6.3669 -6.2887 -6.2887 -6.1974 -6.1974 1.5155 1.5155 1.7101 1.7101 1.7891 1.7891 2.3836 2.3836 2.6864 2.6864 2.8165 2.8165 2.8547 2.8547 2.8660 2.8660 2.9239 2.9239 3.2580 3.2580 3.3688 3.3688 3.4120 3.4120 4.0532 4.0532 4.3283 4.3283 4.3294 4.3294 4.4046 4.4046 4.5002 4.5002 4.5267 4.5267 4.5939 4.5939 4.9434 4.9434 5.0119 5.0119 5.0326 5.0326 5.0604 5.0604 5.1388 5.1388 5.7370 5.7370 5.7645 5.7645 6.3694 6.3694 8.6397 8.6397 8.8463 8.8463 9.0476 9.0476 9.4774 9.4774 9.5425 9.5425 11.2617 11.2617 11.2775 11.2775 k = 0.5000 0.5000 0.0357 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6515 -25.6515 -6.5828 -6.5828 -6.3668 -6.3668 -6.2887 -6.2887 -6.1979 -6.1979 1.5146 1.5146 1.7070 1.7070 1.7859 1.7859 2.3647 2.3647 2.6980 2.6980 2.8192 2.8192 2.8560 2.8560 2.8687 2.8687 2.9293 2.9293 3.2570 3.2570 3.3688 3.3688 3.4126 3.4126 4.0552 4.0552 4.3270 4.3270 4.3289 4.3289 4.4061 4.4061 4.4988 4.4988 4.5261 4.5261 4.5944 4.5944 4.9397 4.9397 5.0138 5.0138 5.0322 5.0322 5.0623 5.0623 5.1382 5.1382 5.7427 5.7427 5.7696 5.7696 6.3712 6.3712 8.6315 8.6315 8.8566 8.8566 9.0493 9.0493 9.4788 9.4788 9.5449 9.5449 11.2528 11.2528 11.2682 11.2682 k = 0.5000 0.5000 0.0536 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6514 -25.6514 -6.5812 -6.5812 -6.3667 -6.3667 -6.2885 -6.2885 -6.1987 -6.1987 1.5132 1.5132 1.7020 1.7020 1.7805 1.7805 2.3367 2.3367 2.7135 2.7135 2.8236 2.8236 2.8584 2.8584 2.8729 2.8729 2.9387 2.9387 3.2553 3.2553 3.3689 3.3689 3.4135 3.4135 4.0585 4.0585 4.3232 4.3232 4.3298 4.3298 4.4085 4.4085 4.4963 4.4963 4.5253 4.5253 4.5953 4.5953 4.9344 4.9344 5.0147 5.0147 5.0335 5.0335 5.0647 5.0647 5.1371 5.1371 5.7521 5.7521 5.7783 5.7783 6.3742 6.3742 8.6199 8.6199 8.8712 8.8712 9.0526 9.0526 9.4810 9.4810 9.5487 9.5487 11.2381 11.2381 11.2530 11.2530 k = 0.5000 0.5000 0.0714 ( 6408 PWs) bands (ev): -61.3594 -61.3594 -34.2903 -34.2903 -25.6527 -25.6527 -25.6514 -25.6514 -6.5788 -6.5788 -6.3665 -6.3665 -6.2884 -6.2884 -6.1999 -6.1999 1.5113 1.5113 1.6951 1.6951 1.7732 1.7732 2.3027 2.3027 2.7298 2.7298 2.8290 2.8290 2.8622 2.8622 2.8786 2.8786 2.9523 2.9523 3.2530 3.2530 3.3690 3.3690 3.4148 3.4148 4.0630 4.0630 4.3184 4.3184 4.3311 4.3311 4.4114 4.4114 4.4928 4.4928 4.5245 4.5245 4.5964 4.5964 4.9281 4.9281 5.0132 5.0132 5.0373 5.0373 5.0670 5.0670 5.1357 5.1357 5.7654 5.7654 5.7905 5.7905 6.3784 6.3784 8.6064 8.6064 8.8878 8.8878 9.0583 9.0583 9.4841 9.4841 9.5537 9.5537 11.2178 11.2178 11.2321 11.2321 k = 0.5000 0.5000 0.0893 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6515 -25.6515 -6.5759 -6.5759 -6.3663 -6.3663 -6.2881 -6.2881 -6.2015 -6.2015 1.5087 1.5087 1.6864 1.6864 1.7640 1.7640 2.2649 2.2649 2.7450 2.7450 2.8350 2.8350 2.8675 2.8675 2.8856 2.8856 2.9703 2.9703 3.2500 3.2500 3.3692 3.3692 3.4163 3.4163 4.0686 4.0686 4.3128 4.3128 4.3327 4.3327 4.4147 4.4147 4.4884 4.4884 4.5238 4.5238 4.5978 4.5978 4.9210 4.9210 5.0095 5.0095 5.0426 5.0426 5.0685 5.0685 5.1339 5.1339 5.7827 5.7827 5.8064 5.8064 6.3836 6.3836 8.5926 8.5926 8.9039 8.9039 9.0673 9.0673 9.4878 9.4878 9.5599 9.5599 11.1923 11.1923 11.2058 11.2058 k = 0.5000 0.5000 0.1071 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6515 -25.6515 -6.5723 -6.5723 -6.3661 -6.3661 -6.2879 -6.2879 -6.2034 -6.2034 1.5056 1.5056 1.6761 1.6761 1.7533 1.7533 2.2247 2.2247 2.7585 2.7585 2.8408 2.8408 2.8744 2.8744 2.8938 2.8938 2.9922 2.9922 3.2463 3.2463 3.3695 3.3695 3.4180 3.4180 4.0753 4.0753 4.3068 4.3068 4.3347 4.3347 4.4182 4.4182 4.4834 4.4834 4.5233 4.5233 4.5996 4.5996 4.9135 4.9135 5.0046 5.0046 5.0479 5.0479 5.0692 5.0692 5.1319 5.1319 5.8040 5.8040 5.8260 5.8260 6.3899 6.3899 8.5794 8.5794 8.9176 8.9176 9.0808 9.0808 9.4920 9.4920 9.5667 9.5667 11.1621 11.1621 11.1746 11.1746 k = 0.5000 0.5000 0.1250 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6516 -25.6516 -6.5681 -6.5681 -6.3658 -6.3658 -6.2876 -6.2876 -6.2056 -6.2056 1.5020 1.5020 1.6645 1.6645 1.7412 1.7412 2.1832 2.1832 2.7703 2.7703 2.8463 2.8463 2.8829 2.8829 2.9032 2.9032 3.0172 3.0172 3.2420 3.2420 3.3700 3.3700 3.4197 3.4197 4.0831 4.0831 4.3005 4.3005 4.3369 4.3369 4.4216 4.4216 4.4779 4.4779 4.5229 4.5229 4.6017 4.6017 4.9058 4.9058 4.9987 4.9987 5.0522 5.0522 5.0689 5.0689 5.1297 5.1297 5.8292 5.8292 5.8493 5.8493 6.3971 6.3971 8.5674 8.5674 8.9276 8.9276 9.0994 9.0994 9.4965 9.4965 9.5740 9.5740 11.1275 11.1275 11.1392 11.1392 k = 0.5000 0.5000 0.1429 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6516 -25.6516 -6.5633 -6.5633 -6.3655 -6.3655 -6.2872 -6.2872 -6.2081 -6.2081 1.4978 1.4978 1.6518 1.6518 1.7280 1.7280 2.1412 2.1412 2.7809 2.7809 2.8515 2.8515 2.8926 2.8926 2.9137 2.9137 3.0442 3.0442 3.2372 3.2372 3.3705 3.3705 3.4215 3.4215 4.0917 4.0917 4.2943 4.2943 4.3394 4.3394 4.4251 4.4251 4.4721 4.4721 4.5228 4.5228 4.6043 4.6043 4.8979 4.8979 4.9918 4.9918 5.0543 5.0543 5.0681 5.0681 5.1274 5.1274 5.8584 5.8584 5.8763 5.8763 6.4052 6.4052 8.5573 8.5573 8.9335 8.9335 9.1227 9.1227 9.5010 9.5010 9.5813 9.5813 11.0895 11.0895 11.1004 11.1004 k = 0.5000 0.5000 0.1607 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6517 -25.6517 -6.5580 -6.5580 -6.3652 -6.3652 -6.2869 -6.2869 -6.2110 -6.2110 1.4931 1.4931 1.6381 1.6381 1.7138 1.7138 2.0990 2.0990 2.7907 2.7907 2.8566 2.8566 2.9033 2.9033 2.9249 2.9249 3.0722 3.0722 3.2317 3.2317 3.3713 3.3713 3.4233 3.4233 4.1010 4.1010 4.2883 4.2883 4.3420 4.3420 4.4285 4.4285 4.4663 4.4663 4.5226 4.5226 4.6073 4.6073 4.8898 4.8898 4.9839 4.9839 5.0531 5.0531 5.0672 5.0672 5.1251 5.1251 5.8912 5.8912 5.9069 5.9069 6.4140 6.4140 8.5493 8.5493 8.9358 8.9358 9.1499 9.1499 9.5052 9.5052 9.5882 9.5882 11.0486 11.0486 11.0589 11.0589 k = 0.5000 0.5000 0.1786 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6518 -25.6518 -6.5521 -6.5521 -6.3648 -6.3648 -6.2865 -6.2865 -6.2142 -6.2142 1.4879 1.4879 1.6239 1.6239 1.6990 1.6990 2.0572 2.0572 2.8002 2.8002 2.8619 2.8619 2.9148 2.9148 2.9369 2.9369 3.1004 3.1004 3.2258 3.2258 3.3722 3.3722 3.4250 3.4250 4.1109 4.1109 4.2828 4.2828 4.3449 4.3449 4.4318 4.4318 4.4606 4.4606 4.5227 4.5227 4.6109 4.6109 4.8816 4.8816 4.9751 4.9751 5.0487 5.0487 5.0658 5.0658 5.1230 5.1230 5.9273 5.9273 5.9410 5.9410 6.4235 6.4235 8.5439 8.5439 8.9354 8.9354 9.1796 9.1796 9.5087 9.5087 9.5942 9.5942 11.0058 11.0058 11.0159 11.0159 k = 0.5000 0.5000 0.1964 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6518 -25.6518 -6.5458 -6.5458 -6.3645 -6.3645 -6.2861 -6.2861 -6.2177 -6.2177 1.4822 1.4822 1.6093 1.6093 1.6836 1.6836 2.0160 2.0160 2.8096 2.8096 2.8674 2.8674 2.9270 2.9270 2.9494 2.9494 3.1281 3.1281 3.2193 3.2193 3.3733 3.3733 3.4265 3.4265 4.1211 4.1211 4.2781 4.2781 4.3479 4.3479 4.4348 4.4348 4.4554 4.4554 4.5227 4.5227 4.6151 4.6151 4.8733 4.8733 4.9655 4.9655 5.0419 5.0419 5.0633 5.0633 5.1209 5.1209 5.9663 5.9663 5.9783 5.9783 6.4335 6.4335 8.5413 8.5413 8.9329 8.9329 9.2106 9.2106 9.5113 9.5113 9.5989 9.5989 10.9620 10.9620 10.9722 10.9722 k = 0.5000 0.5000 0.2143 ( 6432 PWs) bands (ev): -61.3594 -61.3594 -34.2904 -34.2904 -25.6527 -25.6527 -25.6519 -25.6519 -6.5390 -6.5390 -6.3643 -6.3643 -6.2856 -6.2856 -6.2214 -6.2214 1.4760 1.4760 1.5947 1.5947 1.6681 1.6681 1.9757 1.9757 2.8191 2.8191 2.8731 2.8731 2.9398 2.9398 2.9622 2.9622 3.1547 3.1547 3.2124 3.2124 3.3746 3.3746 3.4278 3.4278 4.1313 4.1313 4.2744 4.2744 4.3509 4.3509 4.4373 4.4373 4.4510 4.4510 4.5228 4.5228 4.6198 4.6198 4.8649 4.8649 4.9552 4.9552 5.0332 5.0332 5.0593 5.0593 5.1187 5.1187 6.0076 6.0076 6.0188 6.0188 6.4439 6.4439 8.5417 8.5417 8.9289 8.9289 9.2418 9.2418 9.5125 9.5125 9.6016 9.6016 10.9182 10.9182 10.9290 10.9290 k = 0.5000 0.5000 0.2321 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6520 -25.6520 -6.5319 -6.5319 -6.3641 -6.3641 -6.2852 -6.2852 -6.2255 -6.2255 1.4693 1.4693 1.5803 1.5803 1.6525 1.6525 1.9365 1.9365 2.8287 2.8287 2.8792 2.8792 2.9529 2.9529 2.9752 2.9752 3.1797 3.1797 3.2051 3.2051 3.3761 3.3761 3.4288 3.4288 4.1410 4.1410 4.2721 4.2721 4.3540 4.3540 4.4379 4.4379 4.4487 4.4487 4.5227 4.5227 4.6252 4.6252 4.8563 4.8563 4.9444 4.9444 5.0229 5.0229 5.0540 5.0540 5.1158 5.1158 6.0505 6.0505 6.0620 6.0620 6.4547 6.4547 8.5453 8.5453 8.9239 8.9239 9.2719 9.2719 9.5119 9.5119 9.6020 9.6020 10.8754 10.8754 10.8871 10.8871 k = 0.5000 0.5000 0.2500 ( 6456 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6521 -25.6521 -6.5244 -6.5244 -6.3639 -6.3639 -6.2847 -6.2847 -6.2297 -6.2297 1.4622 1.4622 1.5666 1.5666 1.6370 1.6370 1.8986 1.8986 2.8387 2.8387 2.8857 2.8857 2.9663 2.9663 2.9882 2.9882 3.1965 3.1965 3.2037 3.2037 3.3779 3.3779 3.4296 3.4296 4.1500 4.1500 4.2717 4.2717 4.3570 4.3570 4.4357 4.4357 4.4497 4.4497 4.5226 4.5226 4.6311 4.6311 4.8476 4.8476 4.9331 4.9331 5.0115 5.0115 5.0478 5.0478 5.1120 5.1120 6.0945 6.0945 6.1075 6.1075 6.4656 6.4656 8.5522 8.5522 8.9181 8.9181 9.2999 9.2999 9.5095 9.5095 9.5996 9.5996 10.8345 10.8345 10.8474 10.8474 k = 0.5000 0.5000 0.2679 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6522 -25.6522 -6.5165 -6.5165 -6.3638 -6.3638 -6.2843 -6.2843 -6.2342 -6.2342 1.4546 1.4546 1.5536 1.5536 1.6218 1.6218 1.8621 1.8621 2.8489 2.8489 2.8924 2.8924 2.9800 2.9800 3.0012 3.0012 3.1890 3.1890 3.2244 3.2244 3.3801 3.3801 3.4301 3.4301 4.1576 4.1576 4.2735 4.2735 4.3600 4.3600 4.4324 4.4324 4.4525 4.4525 4.5223 4.5223 4.6377 4.6377 4.8387 4.8387 4.9216 4.9216 4.9993 4.9993 5.0409 5.0409 5.1069 5.1069 6.1394 6.1394 6.1546 6.1546 6.4766 6.4766 8.5624 8.5624 8.9118 8.9118 9.3244 9.3244 9.5050 9.5050 9.5943 9.5943 10.7962 10.7962 10.8107 10.8107 k = 0.5000 0.5000 0.2857 ( 6456 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6523 -25.6523 -6.5085 -6.5085 -6.3639 -6.3639 -6.2838 -6.2838 -6.2389 -6.2389 1.4467 1.4467 1.5418 1.5418 1.6071 1.6071 1.8272 1.8272 2.8592 2.8592 2.8995 2.8995 2.9936 2.9936 3.0139 3.0139 3.1808 3.1808 3.2431 3.2431 3.3826 3.3826 3.4303 3.4303 4.1636 4.1636 4.2777 4.2777 4.3629 4.3629 4.4290 4.4290 4.4559 4.4559 4.5218 4.5218 4.6448 4.6448 4.8298 4.8298 4.9100 4.9100 4.9866 4.9866 5.0337 5.0337 5.1004 5.1004 6.1845 6.1845 6.2025 6.2025 6.4874 6.4874 8.5759 8.5759 8.9052 8.9052 9.3441 9.3441 9.4983 9.4983 9.5859 9.5859 10.7609 10.7609 10.7776 10.7776 k = 0.5000 0.5000 0.3036 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6523 -25.6523 -6.5003 -6.5003 -6.3640 -6.3640 -6.2834 -6.2834 -6.2436 -6.2436 1.4385 1.4385 1.5314 1.5314 1.5931 1.5931 1.7941 1.7941 2.8698 2.8698 2.9068 2.9068 3.0072 3.0072 3.0263 3.0263 3.1723 3.1723 3.2594 3.2594 3.3857 3.3857 3.4303 3.4303 4.1678 4.1678 4.2845 4.2845 4.3656 4.3656 4.4258 4.4258 4.4596 4.4596 4.5210 4.5210 4.6524 4.6524 4.8208 4.8208 4.8984 4.8984 4.9738 4.9738 5.0264 5.0264 5.0925 5.0925 6.2295 6.2295 6.2505 6.2505 6.4982 6.4982 8.5927 8.5927 8.8986 8.8986 9.3577 9.3577 9.4898 9.4898 9.5746 9.5746 10.7282 10.7282 10.7486 10.7486 k = 0.5000 0.5000 0.3214 ( 6456 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6524 -25.6524 -6.4919 -6.4919 -6.3644 -6.3644 -6.2830 -6.2830 -6.2485 -6.2485 1.4300 1.4300 1.5225 1.5225 1.5798 1.5798 1.7627 1.7627 2.8803 2.8803 2.9141 2.9141 3.0205 3.0205 3.0382 3.0382 3.1638 3.1638 3.2731 3.2731 3.3892 3.3892 3.4299 3.4299 4.1704 4.1704 4.2933 4.2933 4.3681 4.3681 4.4229 4.4229 4.4635 4.4635 4.5198 4.5198 4.6605 4.6605 4.8119 4.8119 4.8868 4.8868 4.9615 4.9615 5.0191 5.0191 5.0831 5.0831 6.2737 6.2737 6.2979 6.2979 6.5086 6.5086 8.6125 8.6125 8.8919 8.8919 9.3643 9.3643 9.4793 9.4793 9.5607 9.5607 10.6976 10.6976 10.7239 10.7239 k = 0.5000 0.5000 0.3393 ( 6456 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6525 -25.6525 -6.4836 -6.4836 -6.3649 -6.3649 -6.2826 -6.2826 -6.2533 -6.2533 1.4215 1.4215 1.5152 1.5152 1.5674 1.5674 1.7333 1.7333 2.8908 2.8908 2.9215 2.9215 3.0333 3.0333 3.0494 3.0494 3.1551 3.1551 3.2843 3.2843 3.3932 3.3932 3.4294 3.4294 4.1717 4.1717 4.3039 4.3039 4.3704 4.3704 4.4204 4.4204 4.4675 4.4675 4.5182 4.5182 4.6690 4.6690 4.8032 4.8032 4.8751 4.8751 4.9502 4.9502 5.0119 5.0119 5.0724 5.0724 6.3164 6.3164 6.3439 6.3439 6.5186 6.5186 8.6350 8.6350 8.8854 8.8854 9.3637 9.3637 9.4669 9.4669 9.5446 9.5446 10.6696 10.6696 10.7035 10.7035 k = 0.5000 0.5000 0.3571 ( 6452 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6525 -25.6525 -6.4752 -6.4752 -6.3657 -6.3657 -6.2822 -6.2822 -6.2580 -6.2580 1.4132 1.4132 1.5095 1.5095 1.5560 1.5560 1.7060 1.7060 2.9011 2.9011 2.9287 2.9287 3.0456 3.0456 3.0600 3.0600 3.1466 3.1466 3.2930 3.2930 3.3976 3.3976 3.4286 3.4286 4.1722 4.1722 4.3157 4.3157 4.3725 4.3725 4.4183 4.4183 4.4715 4.4715 4.5162 4.5162 4.6780 4.6780 4.7950 4.7950 4.8631 4.8631 4.9403 4.9403 5.0051 5.0051 5.0606 5.0606 6.3570 6.3570 6.3878 6.3878 6.5283 6.5283 8.6600 8.6600 8.8793 8.8793 9.3569 9.3569 9.4524 9.4524 9.5264 9.5264 10.6465 10.6465 10.6872 10.6872 k = 0.5000 0.5000 0.3750 ( 6456 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6526 -25.6526 -6.4671 -6.4671 -6.3667 -6.3667 -6.2819 -6.2819 -6.2626 -6.2626 1.4053 1.4053 1.5054 1.5054 1.5457 1.5457 1.6807 1.6807 2.9111 2.9111 2.9356 2.9356 3.0570 3.0570 3.0696 3.0696 3.1383 3.1383 3.2995 3.2995 3.4022 3.4022 3.4277 3.4277 4.1720 4.1720 4.3281 4.3281 4.3744 4.3744 4.4164 4.4164 4.4753 4.4753 4.5136 4.5136 4.6874 4.6874 4.7874 4.7874 4.8509 4.8509 4.9322 4.9322 4.9987 4.9987 5.0479 5.0479 6.3947 6.3947 6.4289 6.4289 6.5374 6.5374 8.6868 8.6868 8.8735 8.8735 9.3454 9.3454 9.4360 9.4360 9.5062 9.5062 10.6306 10.6306 10.6746 10.6746 k = 0.5000 0.5000 0.3929 ( 6448 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6526 -25.6526 -6.4592 -6.4592 -6.3680 -6.3680 -6.2816 -6.2816 -6.2669 -6.2669 1.3980 1.3980 1.5029 1.5029 1.5365 1.5365 1.6578 1.6578 2.9206 2.9206 2.9420 2.9420 3.0674 3.0674 3.0784 3.0784 3.1305 3.1305 3.3041 3.3041 3.4068 3.4068 3.4267 3.4267 4.1716 4.1716 4.3407 4.3407 4.3760 4.3760 4.4148 4.4148 4.4790 4.4790 4.5105 4.5105 4.6972 4.6972 4.7806 4.7806 4.8383 4.8383 4.9264 4.9264 4.9928 4.9928 5.0346 5.0346 6.4286 6.4286 6.4665 6.4665 6.5461 6.5461 8.7147 8.7147 8.8682 8.8682 9.3311 9.3311 9.4186 9.4186 9.4840 9.4840 10.6224 10.6224 10.6653 10.6653 k = 0.5000 0.5000 0.4107 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6526 -25.6526 -6.4518 -6.4518 -6.3695 -6.3695 -6.2813 -6.2813 -6.2708 -6.2708 1.3914 1.3914 1.5018 1.5018 1.5287 1.5287 1.6372 1.6372 2.9294 2.9294 2.9477 2.9477 3.0766 3.0766 3.0860 3.0860 3.1233 3.1233 3.3073 3.3073 3.4111 3.4111 3.4257 3.4257 4.1710 4.1710 4.3530 4.3530 4.3773 4.3773 4.4132 4.4132 4.4824 4.4824 4.5070 4.5070 4.7073 4.7073 4.7748 4.7748 4.8255 4.8255 4.9227 4.9227 4.9877 4.9877 5.0212 5.0212 6.4580 6.4580 6.4998 6.4998 6.5544 6.5544 8.7427 8.7427 8.8634 8.8634 9.3158 9.3158 9.4015 9.4015 9.4602 9.4602 10.6209 10.6209 10.6586 10.6586 k = 0.5000 0.5000 0.4286 ( 6424 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6527 -25.6527 -25.6526 -25.6526 -6.4450 -6.4450 -6.3713 -6.3713 -6.2811 -6.2811 -6.2742 -6.2742 1.3859 1.3859 1.5020 1.5020 1.5221 1.5221 1.6193 1.6193 2.9375 2.9375 2.9524 2.9524 3.0843 3.0843 3.0923 3.0923 3.1171 3.1171 3.3093 3.3093 3.4149 3.4149 3.4248 3.4248 4.1704 4.1704 4.3648 4.3648 4.3784 4.3784 4.4116 4.4116 4.4853 4.4853 4.5032 4.5032 4.7177 4.7177 4.7701 4.7701 4.8126 4.8126 4.9213 4.9213 4.9834 4.9834 5.0081 5.0081 6.4822 6.4822 6.5281 6.5281 6.5622 6.5622 8.7698 8.7698 8.8592 8.8592 9.3010 9.3010 9.3860 9.3860 9.4359 9.4359 10.6244 10.6244 10.6542 10.6542 k = 0.5000 0.5000 0.4464 ( 6440 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6527 -25.6527 -6.4392 -6.4392 -6.3731 -6.3731 -6.2809 -6.2809 -6.2770 -6.2770 1.3814 1.3814 1.5032 1.5032 1.5169 1.5169 1.6044 1.6044 2.9445 2.9445 2.9559 2.9559 3.0904 3.0904 3.0968 3.0968 3.1125 3.1125 3.3106 3.3106 3.4180 3.4180 3.4239 3.4239 4.1698 4.1698 4.3755 4.3755 4.3792 4.3792 4.4096 4.4096 4.4878 4.4878 4.4994 4.4994 4.7283 4.7283 4.7663 4.7663 4.7997 4.7997 4.9217 4.9217 4.9798 4.9798 4.9959 4.9959 6.5005 6.5005 6.5508 6.5508 6.5695 6.5695 8.7944 8.7944 8.8553 8.8553 9.2878 9.2878 9.3736 9.3736 9.4126 9.4126 10.6309 10.6309 10.6513 10.6513 k = 0.5000 0.5000 0.4643 ( 6460 PWs) bands (ev): -61.3594 -61.3594 -34.2905 -34.2905 -25.6528 -25.6528 -25.6527 -25.6527 -6.4345 -6.4345 -6.3747 -6.3747 -6.2808 -6.2808 -6.2790 -6.2790 1.3781 1.3781 1.5050 1.5050 1.5131 1.5131 1.5928 1.5928 2.9502 2.9502 2.9579 2.9579 3.0947 3.0947 3.0987 3.0987 3.1102 3.1102 3.3112 3.3112 3.4203 3.4203 3.4233 3.4233 4.1693 4.1693 4.3798 4.3798 4.3850 4.3850 4.4071 4.4071 4.4897 4.4897 4.4961 4.4961 4.7393 4.7393 4.7637 4.7637 4.7870 4.7870 4.9234 4.9234 4.9772 4.9772 4.9855 4.9855 6.5129 6.5129 6.5675 6.5675 6.5757 6.5757 8.8151 8.8151 8.8516 8.8516 9.2774 9.2774 9.3656 9.3656 9.3923 9.3923 10.6382 10.6382 10.6496 10.6496 k = 0.5000 0.5000 0.4821 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4315 -6.4315 -6.3759 -6.3759 -6.2807 -6.2807 -6.2803 -6.2803 1.3761 1.3761 1.5069 1.5069 1.5104 1.5104 1.5854 1.5854 2.9546 2.9546 2.9585 2.9585 3.0973 3.0973 3.0985 3.0985 3.1101 3.1101 3.3115 3.3115 3.4217 3.4217 3.4228 3.4228 4.1689 4.1689 4.3800 4.3800 4.3928 4.3928 4.4037 4.4037 4.4909 4.4909 4.4936 4.4936 4.7504 4.7504 4.7622 4.7622 4.7746 4.7746 4.9255 4.9255 4.9756 4.9756 4.9781 4.9781 6.5200 6.5200 6.5776 6.5776 6.5800 6.5800 8.8306 8.8306 8.8472 8.8472 9.2707 9.2707 9.3630 9.3630 9.3765 9.3765 10.6446 10.6446 10.6487 10.6487 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.3595 -61.3595 -34.2906 -34.2906 -25.6528 -25.6528 -25.6528 -25.6528 -6.4305 -6.4305 -6.3763 -6.3763 -6.2807 -6.2807 -6.2807 -6.2807 1.3755 1.3755 1.5086 1.5086 1.5086 1.5086 1.5829 1.5829 2.9574 2.9574 2.9574 2.9574 3.0982 3.0982 3.0982 3.0982 3.1104 3.1104 3.3116 3.3116 3.4224 3.4224 3.4224 3.4224 4.1689 4.1689 4.3802 4.3802 4.3991 4.3991 4.3991 4.3991 4.4920 4.4920 4.4920 4.4920 4.7595 4.7595 4.7634 4.7634 4.7634 4.7634 4.9265 4.9265 4.9752 4.9752 4.9752 4.9752 6.5223 6.5223 6.5813 6.5813 6.5813 6.5813 8.8409 8.8409 8.8409 8.8409 9.2683 9.2683 9.3665 9.3665 9.3665 9.3665 10.6479 10.6479 10.6496 10.6496 Writing output data file TaCu3Se4.save init_run : 4.11s CPU 15.35s WALL ( 1 calls) electrons : 1243.49s CPU 1258.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1243.46s CPU 1258.70s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.98s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.59s WALL ( 1 calls) newd : 0.49s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.12s WALL ( 219 calls) cegterg : 1193.23s CPU 1205.91s WALL ( 616 calls) Called by sum_band: Called by *egterg: h_psi : 367.09s CPU 375.69s WALL ( 10736 calls) s_psi : 43.11s CPU 43.60s WALL ( 10736 calls) g_psi : 1.14s CPU 1.12s WALL ( 9901 calls) cdiaghg : 583.97s CPU 583.11s WALL ( 10120 calls) cegterg:over : 106.71s CPU 104.29s WALL ( 9901 calls) cegterg:upda : 34.47s CPU 37.22s WALL ( 9901 calls) cegterg:last : 24.25s CPU 24.64s WALL ( 1328 calls) Called by h_psi: h_psi:vloc : 277.30s CPU 284.13s WALL ( 10736 calls) h_psi:vnl : 89.13s CPU 90.35s WALL ( 10736 calls) add_vuspsi : 32.99s CPU 36.28s WALL ( 10736 calls) General routines calbec : 56.09s CPU 53.98s WALL ( 10736 calls) fft : 0.25s CPU 1.22s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 264.48s CPU 268.56s WALL ( 1328728 calls) interpolate : 0.08s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.72s WALL ( 438 calls) Parallel routines fft_scatter : 193.28s CPU 194.98s WALL ( 1328751 calls) PWSCF : 21m57.33s CPU 24m 6.65s WALL This run was terminated on: 19: 1:10 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=